Cas no 62227-65-0 (3,5-Cyclohexadiene-1,2-dione, 3,5-bis(1-methylethyl)-)
62227-65-0 structure
Product Name:3,5-Cyclohexadiene-1,2-dione, 3,5-bis(1-methylethyl)-
CAS No:62227-65-0
MF:C12H16O2
MW:192.254243850708
CID:453460
PubChem ID:20073421
Update Time:2025-04-19
3,5-Cyclohexadiene-1,2-dione, 3,5-bis(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Cyclohexadiene-1,2-dione, 3,5-bis(1-methylethyl)-
- 3,5-di(propan-2-yl)cyclohexa-3,5-diene-1,2-dione
- DTXSID50602159
- SCHEMBL5587486
- 62227-65-0
-
- Inchi： 1S/C12H16O2/c1-7(2)9-5-10(8(3)4)12(14)11(13)6-9/h5-8H,1-4H3
- InChI Key： CFBLMXLFOMGOFO-UHFFFAOYSA-N
- SMILES： O=C1C(C=C(C=C1C(C)C)C(C)C)=O
Computed Properties
- Exact Mass: 192.11508
- Monoisotopic Mass: 192.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 330
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
3,5-Cyclohexadiene-1,2-dione, 3,5-bis(1-methylethyl)- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
62227-65-0 (3,5-Cyclohexadiene-1,2-dione, 3,5-bis(1-methylethyl)-) Related Products
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