Is there a systematic naming system to name carbonyl derivatives? Cubane, which CA index name is Pentacyclo[4.2.0.02,5.03,8.04,7]octane (7CI,8CI,9CI),has exceptional structure, strain and symmetry and it is a benchmark in organic chemistry.It has been studied extensively and much of its properties has been published.Some of the physical properties are given at right hand table. @bon OP: "I am especially intrigued by the pentacyclo part.". Where do you cut drywall if you need to remove it but still want to easily put it back up? The database is prepared by a PhD chemist. Pictograms: Signal Word: Warning: Hazard Statements: Causes skin irritation Causes serious eye irritation May cause respiratory irritation: And I have my © 2018 by the U.S. Secretary of Commerce A solid crystalline substance, cubane is one of the Platonic hydrocarbons.It was first synthesized in 1964 by Philip Eaton, a professor of chemistry at the University of Chicago. A solid crystalline substance, cubane is one of the Platonic hydrocarbons and a member of the prismanes.It was first synthesized in 1964 by Philip Eaton, a professor of chemistry at the … How many matchsticks need to be removed so there are no equilateral triangles? How to just gain root permission without running anything? A solid crystalline substance, cubane is one of the Platonic hydrocarbons.It was first synthesized in 1964 by Philip Eaton, a professor of chemistry at the University of Chicago. InChI=1S/C8H8/c1-2-5-3(1)7-4(1)6(2)8(5)7/h1-8H, National Institute of Standards and Therefore, the correct systematic name is ‘pentacyclo[4.2.0.0 2,5.0 3,8.0 4,7]octane’. Mathematically, we have Euler's formula $\text{vertices} - \text{edges} +\text{faces}=2$. What is the systematic name of a “double benzene”? uses its best efforts to deliver a high quality copy of the The purpose of the fee is to recover costs associated Database and to verify that the data contained therein have with the development of data collections included in Why is cubane called pentacyclo[$4$.$2$.$0$.$0^{2,5}$.$0^{3,8}$.$0^{4,7}$]octane? Use MathJax to format equations. The longest carbon chain has four carbon atoms and contains both the aldehyde and ketone groups. Permanent link for this species. Technology, Office of Data shall not be liable for any damage that may result from Properties. How do Shadowdancer's Hide in Plain Sight, Hellcat Stealth, and enemies' darkvision interact? So I can go ahead and write octane down here, like that. Cubane (C 8 H 8) is a synthetic hydrocarbon molecule that consists of eight carbon atoms arranged at the corners of a cube, with one hydrogen atom attached to each carbon atom. Name: Cubane; IUPAC name: Cubane; Formula: C 8 H 8; Molecular weight: 104.1491 g/mol; Monoisotopic weight: 104.0626003 g/mol 5 years ago Think You Can Provide A Better Answer ? Your institution may already be a subscriber. Cubane (C8H8) is a synthetic hydrocarbon molecule that consists of eight carbon atoms arranged at the corners of a cube, with one hydrogen atom attached to each carbon atom. Cubane (C8H8) is a synthetic hydrocarbon molecule that consists of eight carbon atoms arranged at the corners of a cube, with one hydrogen atom attached to each carbon atom. The main bridge is the bridge that includes as many of the atoms as possible that are not included in the main ring (here: 0 atoms). Are there pieces that require retuning an instrument mid-performance? IUPAC Name: cubane-1-carboxylic acid: HTS Code: 2916205000: Smiles: O=C(O)C12C3C4C1C5C4C3C25: InChiKey: Safety Information . کوبان یا به تلفظ صحیح‌تر کیوبِین (به انگلیسی: Cubane) با فرمول مولکولی C Û¸ H Û¸ یک مولکول هیدروکربن شناخته شده و متشکل از هشت اتم کربن که در ساختار یک مکعب قرار گرفته‌اند.این ماده بلوری و جامد برای اولین بار … Questions are divided into 6 topics. Standard Reference Data Act. However, the retained name ‘cubane’ is used in general nomenclature and as preferred IUPAC name (PIN). The octanitrocubane molecule has the same chemical structure as cubane (C 8 H 8) except that each of the eight hydrogen atoms is replaced by a nitro group (NO 2).. Copyright for NIST Standard Reference Data is governed by IUPAC Standard InChIKey: TXWRERCHRDBNLG-UHFFFAOYSA-N; CAS Registry Number: 277-10-1; Chemical structure: This structure is also available as a 2d Mol file or as a computed 3d SD file The 3d structure may be viewed using Java or Javascript. Bridges other than the main bridge are called secondary bridges: P-23.2.6.1 Naming polycyclic alicyclic hydrocarbons, Rings not designated by the bicyclic system described above (…) are defined by citing the number of atoms in each secondary bridge as an arabic number. Molecular Structure of Cubane I only wish to give the mathematical (more precisely, graph-theoretic) view on why cubane is considered pentacyclic. So the common name for 1-methylethyl is isopropyl. NIST Standard Reference So 4-(1-methylethyl) heptane would be an acceptable IUPAC way of naming that molecule. Data Program, but require an annual fee to access. This is a revelation for me: The number of rings is equal to the number of bond cuts necessary to transform the polycyclic system into an acyclic skeleton, unbranched or branched. However, the retained name ‘cubane’ is used in general nomenclature and as preferred IUPAC name (PIN). (…). The cubic shape requires the car… Cubane (C 8 H 8) is a synthetic hydrocarbon molecule that consists of eight carbon atoms arranged at the corners of a cube, with one hydrogen atom attached to each carbon atom. So isopropyl is the common name. Cubane (C8H8) is a synthetic hydrocarbon molecule that consists of eight carbon atoms arranged at the corners of a cube, with one hydrogen atom attached to each carbon molecule. Cubane: A polycyclic aliphatic hydrocarbon of molecular formula C 8 H 8, named for its cubic shape. I am especially intrigued by the pentacyclo part. Carbon tetrachloride, also known by many other names (the most notable being tetrachloromethane, also recognised by the IUPAC, carbon tet in the cleaning industry, Halon-104 in firefighting, and Refrigerant-10 in HVACR) is an organic compound with the chemical formula CCl 4. on behalf of the United States of America. If one tomato had molded, is the rest of the pack safe to eat? The locants of the two attachment points of each secondary bridge to the main ring are cited as a pair of superscript arabic numbers (lower first) separated by a comma. Can we power things (like cars or similar rovers) on earth in the same way Perseverance generates power? It was first synthesized in 1964 by Philip Eatonand Thomas Cole. IUPAC name pentacyclo [4.2.0.0 2,5.0 3,8.0 4,7] octane. Octanitrocubane (molecular formula: C 8 (NO 2) 8) is a high explosive that, like TNT, is shock-insensitive (not readily detonated by shock). The number of rings is equal to the number of bond cuts necessary to transform the polycyclic system into an acyclic skeleton, unbranched or branched. Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.95 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 221.69 (Adapted Stein & Brown method) Melting Pt (deg C): 35.57 (Mean or Weighted MP) VP(mm Hg,25 deg … 72 relations. In this case, the aldehyde functional group has higher priority, and thus the molecule is named as an aldehyde. been selected on the basis of sound scientific judgment. Loong has already taken care of how the IUPAC system names cubane. Data from NIST Standard Reference Database 69: The National Institute of Standards and Technology (NIST) How's the IUPAC name of basketane determined? ACD/Name (Chemist Version) offers a standardized set of features for quick and simple generation of IUPAC names, and structures from names. View a full description and pricing on our web store. and Informatics, NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data). The carbon atoms in the chemical structure of cubane are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the … Pentacyclo[4.2.0.0 2,5.0 3,8.0 4,7] 5 years ago Adarsh 733 Points IUPAC name is Cubane, other name is Pentacyclo octane. The main ring of a polycyclic hydrocarbon ring system is selected so as to include as many skeletal atoms of the structure as possible (here: 8 atoms). In graph theory parlance, these two graphs are isomorphic. in decreasing order. Use this link for bookmarking this species for future reference. Difference between 'Preferred IUPAC Name' and 'Systematic IUPAC Name'. the Thus, the cubic graph can be represented by either graph. But the systematic name follows von Baeyer nomenclature. MathJax reference. Cubane. Cubane, which CA index name is Pentacyclo[4.2.0.02,5.03,8.04,7]octane (7CI,8CI,9CI),has exceptional structure, strain and symmetry and it is a benchmark in organic chemistry.It has been studied extensively and much of its properties has been published.Some of the physical properties are given at right hand table. Property Name Property Value Reference; Molecular Weight: 464.13 g/mol: Computed by PubChem 2.1 (PubChem release 2019.06.18) XLogP3-AA-3.6: Computed by XLogP3 3.0 (PubChem release 2019.06.18) It only takes a minute to sign up. The Magic of Cubane! All rights reserved. What is the IUPAC systematic name for methane? By clicking “Post Your Answer”, you agree to our terms of service, privacy policy and cookie policy. Recommended SQL Server transaction logs settings for ephemeral databases? The 2D chemical structure image of cubane is also called skeletal formula, which is the standard notation for organic molecules. Nomenclature of Organic Chemistry – IUPAC Recommendations and Preferred Names 2013 (Blue Book), Visual design changes to the review queues, Opt-in alpha test for a new Stacks editor. It is one … Cubane (C 8 H 8) is a synthetic hydrocarbon molecule that consists of eight carbon atoms arranged at the corners of a cube, with one hydrogen atom attached to each carbon atom. NIST subscription sites provide data under the There are all major classes of hydrocarbons. However, NIST makes no warranties to that effect, and NIST It is however not as powerful as once thought, as the high-density … Multihoming with two 'good' providers - load sharing strategy? Bring the power of IUPAC naming to your desktop! To learn more, see our tips on writing great answers. Cubane, which CA index name is Pentacyclo[4.2.0.02,5.03,8.04,7]octane (7CI,8CI,9CI),has exceptional structure, strain and symmetry and it is a benchmark in organic chemistry.It has been studied extensively and much of its properties has been published.Some of the physical properties are given at right hand table. Is the pseudoinverse the same as least squares with regularization? The magic of cubane 1. such sites. Before this work, researchers believed that cubic carbon-based molecules would be too unstable to exist. Begin with basic structures such as methane CH4, benzene C6H6, and isomers of octane C8H18. Can you identify this yellow LEGO vehicle? Cubane (C 8 H 8) is a synthetic hydrocarbon molecule that consists of eight carbon atoms arranged at the corners of a cube, with one hydrogen atom attached to each carbon atom. Chemistry Stack Exchange is a question and answer site for scientists, academics, teachers, and students in the field of chemistry. Follow the links above to find out more about the data Thanks for contributing an answer to Chemistry Stack Exchange! Before this work, … Stack Exchange network consists of 176 Q&A communities including Stack Overflow, the largest, most trusted online community for developers to learn, share their knowledge, and build their careers. You can check that you can assign labels to the edges and vertices of both graphs such that there is a one-to-one correspondence between them. Select dataset rows that meet a mathematical criterion in a column, Bash expansion asymmetry when opening and creating files. To subscribe to this RSS feed, copy and paste this URL into your RSS reader. It is a colourless liquid with a "sweet" smell that can be detected at low levels. A solid crystalline substance, cubane is one of the Platonic hydrocarbons and a member of the prismanes.It was first synthesized in 1964 by Philip Eaton and Thomas Cole. Is there any way to turn a token into a nontoken? Therefore, the correct systematic name is ‘pentacyclo[4.2.0.02,5.03,8.04,7]octane’. What is the meaning of n in n-octane and similar compounds? rev 2021.2.26.38663, The best answers are voted up and rise to the top, Chemistry Stack Exchange works best with JavaScript enabled, Start here for a quick overview of the site, Detailed answers to any questions you might have, Discuss the workings and policies of this site, Learn more about Stack Overflow the company, Learn more about hiring developers or posting ads with us. Other names. Can Hollywood discriminate on the race of their actors? It's always interesting to think about flattening your because the molecular bond graph tells you the topological index. Surprising stable despite its very high ring strain and angle strain. So if your naming your complex substituent as 1-methylethyl, that's the official IUPAC way, but there are also common names for these complex substituents. Answer & Earn Cool Goodies. Other Related Questions on … IUPAC name. By DR ANTHONY MELVIN CRASTO Cubane[1] Pentacyclo[4.2.0.02,5.03,8.04,7]octane CAS 277-10-1 Cubane (C8H8) is a synthetic hydrocarbon molecule that consists of eight carbon atoms arranged at the corners of a cube, with one hydrogen atom attached to each carbon atom. According to the current version of Nomenclature of Organic Chemistry – IUPAC Recommendations and Preferred Names 2013 (Blue Book), polycyclic hydrocarbons having an independent secondary bridge are named on the basis of a bicyclic system as follows. P-23.2.6.1.1 The prefixes ‘tricyclo’, ‘tetracyclo’, etc., in place of ‘bicyclo’, indicate the number of rings in the polyalicyclic system. How do telecom companies survive when everyone suddenly knows telepathy? The second "planarized" graph, in particular, clearly displays the five "rings" in cubane. This is constructed by [1] > “a prefix indicating the number of rings (tricyclo, tetracyclo, etc.) site design / logo © 2021 Stack Exchange Inc; user contributions licensed under cc by-sa. Cubane; IUPAC name: Pentacyclo[4,2,0,0 2,5,0 3,8,0 4,7]octane Identifiers CAS number: 277-10-01: SMILES: C12C3C4C1C5C4C3C25: InChI: InChI=1/C8H8/c1-2-5-3(1) 7-4(1)6(2)8(5)7/h1-8H Properties Molecular formula: C 8 H 8: Molar mass: 104.15 g/mol Density: 1.29 g/cm 3: Melting point: 131 °C in these sites and their terms of usage. What's the best way to communicate 'you get a bonus but no raise this year' to employee? For cubane, we thus have $12-8+1=5$ rings. The numbers indicating independent secondary bridges (bridges that connect atoms of the bicyclic system) are cited It doesn't have anything to do with naming but it is somewhat relevant to the last part so I won't flag for deletion for now (others may disagree though). Learn about benzopyrene C20H12 and cubane C8H8. errors or omissions in the Database. It is a streamlined version of our popular ACD/Name software. A solid crystalline substance, cubane is one of the Platonic hydrocarbons and a member of the prismanes. Since one face has been "projected to infinity" by the flattening, the formula for counting rings now becomes something like $\text{rings}=\text{bonds}-\text{atoms in ring system}+1$. Asking for help, clarification, or responding to other answers. Is it legal to hide your affiliation in research paper? I'm not really sure that this answers the question. However, the retained name ‘cubane’ is used in general nomenclature and as preferred IUPAC name (PIN). Cubane: The Preferred IUPAC Name is actually Cubane. @bon I agree. Making statements based on opinion; back them up with references or personal experience. Then proceed to advanced subjects. Predicted data is generated using the US Environmental Protection Agency’s EPISuite™. Safety Information. How much percentage royalty do I get from Springer (as the paper's author) and how I can apply for royalty payment?
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