Cas no 93939-82-3 (Cyclohexanol,5-methyl-2-(1-methylethyl)-, carbonate (2:1), [1S-[1a(1R*,2S*,5R*),2b,5a]]- (9CI))
![Cyclohexanol,5-methyl-2-(1-methylethyl)-, carbonate (2:1), [1S-[1a(1R*,2S*,5R*),2b,5a]]- (9CI) structure](https://ossimg.kuujia.com/scimg/94000/93939-82-3x500.png)
93939-82-3 structure
Product Name:Cyclohexanol,5-methyl-2-(1-methylethyl)-, carbonate (2:1), [1S-[1a(1R*,2S*,5R*),2b,5a]]- (9CI)
CAS No:93939-82-3
MF:C21H38O3
MW:338.52462720871
CID:815801
PubChem ID:56844037
Update Time:2025-04-19
Cyclohexanol,5-methyl-2-(1-methylethyl)-, carbonate (2:1), [1S-[1a(1R*,2S*,5R*),2b,5a]]- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanol,5-methyl-2-(1-methylethyl)-, carbonate (2:1), [1S-[1a(1R*,2S*,5R*),2b,5a]]- (9CI)
- DTXSID80917026
- l-menthyl carbonate
- 93939-82-3
- Bis[5-methyl-2-(propan-2-yl)cyclohexyl] carbonate
- EINECS 300-372-7
- SCHEMBL5125211
- Bis-D-menthyl performate
-
- Inchi： 1S/C21H38O3/c1-13(2)17-9-7-15(5)11-19(17)23-21(22)24-20-12-16(6)8-10-18(20)14(3)4/h13-20H,7-12H2,1-6H3/t15-,16-,17+,18+,19-,20-/m0/s1
- InChI Key： QFEHNMKROHXPFO-GTYQWKCWSA-N
- SMILES： O(C(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@H]1C[C@@H](C)CC[C@@H]1C(C)C
Computed Properties
- Exact Mass: 338.28209507g/mol
- Monoisotopic Mass: 338.28209507g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 6
- Complexity: 368
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.5
- Topological Polar Surface Area: 35.5?2
Cyclohexanol,5-methyl-2-(1-methylethyl)-, carbonate (2:1), [1S-[1a(1R*,2S*,5R*),2b,5a]]- (9CI) Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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