Cas no 5108-87-2 (Cyclohexaneacetic acid, 1-hydroxy-2-methyl-, ethyl ester)
5108-87-2 structure
Product Name:Cyclohexaneacetic acid, 1-hydroxy-2-methyl-, ethyl ester
CAS No:5108-87-2
MF:C11H20O3
MW:200.274703979492
CID:363303
PubChem ID:12388967
Update Time:2025-04-19
Cyclohexaneacetic acid, 1-hydroxy-2-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexaneacetic acid, 1-hydroxy-2-methyl-, ethyl ester
- ethyl 2-(1-hydroxy-2-methylcyclohexyl)acetate
- Ethyl (1-hydroxy-2-methylcyclohexyl)acetate
- 5108-87-2
- AKOS011683131
- DTXSID50495922
-
- Inchi： 1S/C11H20O3/c1-3-14-10(12)8-11(13)7-5-4-6-9(11)2/h9,13H,3-8H2,1-2H3
- InChI Key： UKMLGFHMLMLBNV-UHFFFAOYSA-N
- SMILES： OC1(CC(=O)OCC)CCCCC1C
Computed Properties
- Exact Mass: 200.1413
- Monoisotopic Mass: 200.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 203
- 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: 2.3
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Cyclohexaneacetic acid, 1-hydroxy-2-methyl-, ethyl ester Related Literature
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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