Cas no 28587-71-5 (2-Cyclohexen-1-one,3-methyl-5-(1-methylethyl)-)
28587-71-5 structure
Product Name:2-Cyclohexen-1-one,3-methyl-5-(1-methylethyl)-
CAS No:28587-71-5
MF:C10H16O
MW:152.233443260193
CID:260030
PubChem ID:222994
Update Time:2025-04-19
2-Cyclohexen-1-one,3-methyl-5-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclohexen-1-one,3-methyl-5-(1-methylethyl)-
- 3-Methyl-5-isopropylcyclohex-2-en-1-one
- 5-Isopropyl-3-methyl-2-cyclohexen-1-one
- Cyclosal
- Hexeton
- Hexetone
- Homocamfin
- m-Menth-6-en-5-one
- m-Menth-6-en-5-one,(?à)- (8CI)
- NSC 10129
- NSC-10129
- CHEBI:134777
- SCHEMBL287771
- HOMOCAMFIN [MI]
- 1PTJ9TO8ZZ
- Q27252728
- DTXSID501023858
- NSC10129
- 2-Cyclohexen-1-one, 3-methyl-5-(1-methylethyl)-
- XHJJEWBMBSQVCJ-UHFFFAOYSA-N
- UNII-1PTJ9TO8ZZ
- 5-isopropyl-3-methyl-cyclohex-2-en-1-one
- 28587-71-5
- m-Menth-6-en-5-one, (+/-)-
- 3-Methyl-5-(propan-2-yl)cyclohex-2-en-1-one
- 535-86-4
- 3-methyl-5-propan-2-ylcyclohex-2-en-1-one
-
- Inchi： 1S/C10H16O/c1-7(2)9-4-8(3)5-10(11)6-9/h5,7,9H,4,6H2,1-3H3
- InChI Key： XHJJEWBMBSQVCJ-UHFFFAOYSA-N
- SMILES： O=C1C=C(C)CC(C1)C(C)C
Computed Properties
- Exact Mass: 152.12018
- Monoisotopic Mass: 152.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 189
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-Cyclohexen-1-one,3-methyl-5-(1-methylethyl)- Related Literature
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M. S. Carson,W. Cocker,S. M. Evans,P. V. R. Shannon J. Chem. Soc. C 1970 1447
-
2. The chemistry of terpenes. Part XII. Oxidation of (+)-car-3-ene with t-butyl chromate and photolysis of the major oxidation product, (–)-car-3-en-5-oneP. H. Boyle,W. Cocker,D. H. Grayson,P. V. R. Shannon J. Chem. Soc. C 1971 1073
-
Sarah Moreno,Melanie Brunner,Isabel Delazer,Dietmar Rieder,Alexandra Lusser,Ronald Micura RSC Chem. Biol. 2022 3 447
-
Emma S. Rudge,Alex H. Y. Chan,Finian J. Leeper RSC Med. Chem. 2022 13 375
-
Pavla Perlíková,Petr Kone?ny,Petr Nau?,Jan Sná?el,Ivan Votruba,Petr D?ubák,Iva Pichová,Marián Hajdúch,Michal Hocek Med. Chem. Commun. 2013 4 1497
28587-71-5 (2-Cyclohexen-1-one,3-methyl-5-(1-methylethyl)-) Related Products
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