Cas no 83637-11-0 (Cyclohexanecarboxylic acid, 6-ethyl-2,2-dimethyl-, ethyl ester, trans-)
83637-11-0 structure
Product Name:Cyclohexanecarboxylic acid, 6-ethyl-2,2-dimethyl-, ethyl ester, trans-
CAS No:83637-11-0
MF:C13H24O2
MW:212.328464508057
CID:668772
PubChem ID:54441398
Update Time:2025-04-19
Cyclohexanecarboxylic acid, 6-ethyl-2,2-dimethyl-, ethyl ester, trans- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxylic acid, 6-ethyl-2,2-dimethyl-, ethyl ester, trans-
- ethyl (1S,6R)-6-ethyl-2,2-dimethylcyclohexane-1-carboxylate
- DTXSID20711363
- SCHEMBL10877156
- 83637-11-0
-
- Inchi： 1S/C13H24O2/c1-5-10-8-7-9-13(3,4)11(10)12(14)15-6-2/h10-11H,5-9H2,1-4H3/t10-,11-/m1/s1
- InChI Key： WOIYBMVBEIFQKM-GHMZBOCLSA-N
- SMILES： O(CC)C([C@H]1[C@H](CC)CCCC1(C)C)=O
Computed Properties
- Exact Mass: 212.177630004g/mol
- 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: 4
- Complexity: 221
- 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: 4.4
- Topological Polar Surface Area: 26.3?2
Cyclohexanecarboxylic acid, 6-ethyl-2,2-dimethyl-, ethyl ester, trans- Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
83637-11-0 (Cyclohexanecarboxylic acid, 6-ethyl-2,2-dimethyl-, ethyl ester, trans-) Related Products
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