Cas no 16847-05-5 (Cyclohexaneoctanoic acid, 2-butyl-, methyl ester)
16847-05-5 structure
Product Name:Cyclohexaneoctanoic acid, 2-butyl-, methyl ester
CAS No:16847-05-5
MF:C19H36O2
MW:296.487946510315
CID:1349032
PubChem ID:557764
Update Time:2025-04-20
Cyclohexaneoctanoic acid, 2-butyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexaneoctanoic acid, 2-butyl-, methyl ester
- 2-Butylcyclohexaneoctanoic acid methyl ester
- Methyl 8-(2-butylcyclohexyl)octanoate #
- 16847-05-5
- MCPUIPZASRSCFE-UHFFFAOYSA-N
- Methyl 8-(2-butylcyclohexyl)octanoate
- methyl 8-(2'-butyl-cyclohexyl)-octanoate
-
- Inchi： 1S/C19H36O2/c1-3-4-12-17-14-10-11-15-18(17)13-8-6-5-7-9-16-19(20)21-2/h17-18H,3-16H2,1-2H3
- InChI Key： MCPUIPZASRSCFE-UHFFFAOYSA-N
- SMILES： O(C)C(CCCCCCCC1CCCCC1CCCC)=O
Computed Properties
- Exact Mass: 296.27168
- Monoisotopic Mass: 296.271530387g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 12
- Complexity: 262
- 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: 7.7
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Cyclohexaneoctanoic acid, 2-butyl-, methyl ester Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
16847-05-5 (Cyclohexaneoctanoic acid, 2-butyl-, methyl ester) Related Products
- 4630-82-4(Methyl cyclohexanecarboxylate)
- 10094-36-7(ethyl 3-cyclohexylpropanoate)
- 19013-37-7(Dimethyl 3-methylpentanedioate)
- 94-60-0(Dimethyl Cyclohexane-1,4-dicarboxylate(1,4-Cyclohexanedicarboxylic Dimethyl Ester))
- 14352-61-5(Methylcyclohexaneacetate)
- 1687-29-2(Dimethyl cis-1,2-Cyclohexanedicarboxylate)
- 27151-65-1(5-methoxy-3-methyl-5-oxopentanoate)
- 597-71-7(Pentaerythritol tetraacetate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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