Cas no 54714-34-0 (Cyclohexanol, 2-methyl-, acetate, trans-)
54714-34-0 structure
Product Name:Cyclohexanol, 2-methyl-, acetate, trans-
CAS No:54714-34-0
MF:C9H16O2
MW:156.222143173218
CID:353873
PubChem ID:12705473
Update Time:2025-04-19
Cyclohexanol, 2-methyl-, acetate, trans- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanol, 2-methyl-, acetate, trans-
- acetic acid,(1R,2R)-2-methylcyclohexan-1-ol
- (1R,2R)-Acetic acid 2-methylcyclohexyl ester
- 2WU6VU2L3D
- acetic acid (A+/-)-trans-2-methyl-cyclohexyl ester
- Q27255718
- Cyclohexanol, 2-methyl-, acetate, (1R-trans)-
- 15288-15-0
- SCHEMBL13050136
- 2-Methylcyclohexyl acetate, trans-(+/-)-
- 2-Methylcyclohexyl acetate #
- AKIIJALHGMKJEJ-VXNVDRBHSA-N
- Cyclohexanol, 2-methyl-, 1-acetate, (1R,2R)-rel-
- acetic acid (+/-)-trans-2-methyl-cyclohexyl ester
- (+/-)-trans-2-Methylcyclohexyl acetate
- 50539-19-0
- 1alpha-Acetoxy-2alpha-methylcyclohexane
- [(1R,2R)-2-methylcyclohexyl] acetate
- 54714-34-0
- trans-(+/-)-2-Methylcyclohexyl acetate
- UNII-2WU6VU2L3D
- trans-2-Methylcyclohexyl acetate
-
- Inchi： 1S/C9H16O2/c1-7-5-3-4-6-9(7)11-8(2)10/h7,9H,3-6H2,1-2H3/t7-,9-/m1/s1
- InChI Key： AKIIJALHGMKJEJ-VXNVDRBHSA-N
- SMILES： O(C(C)=O)[C@@H]1CCCC[C@H]1C
Computed Properties
- Exact Mass: 174.12564
- Monoisotopic Mass: 156.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 143
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 57.53
Cyclohexanol, 2-methyl-, acetate, trans- Related Literature
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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