Cas no 5726-23-8 (Hexanoic acid,2-methylcyclohexyl ester)
5726-23-8 structure
Product Name:Hexanoic acid,2-methylcyclohexyl ester
CAS No:5726-23-8
MF:C13H24O2
MW:212.328464508057
CID:384593
PubChem ID:230160
Update Time:2025-04-19
Hexanoic acid,2-methylcyclohexyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid,2-methylcyclohexyl ester
- Capronsaeure-<2-methyl-cyclohexylester>
- Capronsaeure-(2-methyl-cyclohexylester)
- NSC-24742
- 5726-23-8
- DTXSID20972750
- 2-methylcyclohexyl hexanoate
- NSC24742
-
- Inchi： 1S/C13H24O2/c1-3-4-5-10-13(14)15-12-9-7-6-8-11(12)2/h11-12H,3-10H2,1-2H3
- InChI Key： MRDVBWGVYNUMDX-UHFFFAOYSA-N
- SMILES： O(C(CCCCC)=O)C1CCCCC1C
Computed Properties
- Exact Mass: 379.12033
- Monoisotopic Mass: 212.177630004g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 189
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 101.78
- LogP: 3.68860
Hexanoic acid,2-methylcyclohexyl ester Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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