Cas no 54307-74-3 (2-Cyclohexen-1-one, 5-methyl-, (5R)-)
54307-74-3 structure
Product Name:2-Cyclohexen-1-one, 5-methyl-, (5R)-
CAS No:54307-74-3
MF:C7H10O
MW:110.153702259064
CID:354921
PubChem ID:10986174
Update Time:2025-04-19
2-Cyclohexen-1-one, 5-methyl-, (5R)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclohexen-1-one, 5-methyl-, (5R)-
- (r)-5-methyl-cyclohex-2-enone
- DTXSID40450707
- (A+/-)-5-methyl-cyclohex-2-enone
- 54307-74-3
- (R)-5-methyl-2-cyclohexenone
- NQICQYZVEPBJON-ZCFIWIBFSA-N
- SCHEMBL6080709
-
- Inchi： 1S/C7H10O/c1-6-3-2-4-7(8)5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1
- InChI Key： NQICQYZVEPBJON-ZCFIWIBFSA-N
- SMILES： O=C1C=CC[C@@H](C)C1
Computed Properties
- Exact Mass: 110.0732
- Monoisotopic Mass: 110.073164938g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 124
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-Cyclohexen-1-one, 5-methyl-, (5R)- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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