Cas no 94020-93-6 (Decanoic acid,(1R,2S,5R)-5-ethyl-2-(1-methylethyl)cyclohexyl ester, rel-)
94020-93-6 structure
Product Name:Decanoic acid,(1R,2S,5R)-5-ethyl-2-(1-methylethyl)cyclohexyl ester, rel-
CAS No:94020-93-6
MF:C20H38O2
MW:310.514526844025
CID:811368
PubChem ID:12738088
Update Time:2025-04-19
Decanoic acid,(1R,2S,5R)-5-ethyl-2-(1-methylethyl)cyclohexyl ester, rel- Chemical and Physical Properties
Names and Identifiers
-
- Decanoic acid,(1R,2S,5R)-5-ethyl-2-(1-methylethyl)cyclohexyl ester, rel-
- (1alpha,2beta,5.alpha.)-5-methyl-2-(1-methylethyl)cyclohexyl decanoate
- [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] decanoate
- Decanoic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1alpha,2beta,5alpha)-
- (1alpha,2beta,5alpha)-5-Methyl-2-(1-methylethyl)cyclohexyl decanoate
- NS00039889
- EINECS 301-388-7
- 94020-93-6
- DTXSID20240224
-
- Inchi： 1S/C20H38O2/c1-5-6-7-8-9-10-11-12-20(21)22-19-15-17(4)13-14-18(19)16(2)3/h16-19H,5-15H2,1-4H3/t17-,18+,19-/m0/s1
- InChI Key： OLKHPKJDRMQATD-OTWHNJEPSA-N
- SMILES： O(C(CCCCCCCCC)=O)[C@H]1C[C@@H](C)CC[C@@H]1C(C)C
Computed Properties
- Exact Mass: 310.287180451g/mol
- Monoisotopic Mass: 310.287180451g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 11
- Complexity: 298
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.7
- Topological Polar Surface Area: 26.3?2
Decanoic acid,(1R,2S,5R)-5-ethyl-2-(1-methylethyl)cyclohexyl ester, rel- Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
-
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
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
94020-93-6 (Decanoic acid,(1R,2S,5R)-5-ethyl-2-(1-methylethyl)cyclohexyl ester, rel-) Related Products
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