Cas no 108235-79-6 (Cyclohexanecarbonyl chloride, 5-methyl-2-(1-methylethyl)-, [1S-(1alpha,2beta,5alpha)]- (9CI))
![Cyclohexanecarbonyl chloride, 5-methyl-2-(1-methylethyl)-, [1S-(1alpha,2beta,5alpha)]- (9CI) structure](https://ossimg.kuujia.com/scimg/108500/108235-79-6x500.png)
108235-79-6 structure
Product Name:Cyclohexanecarbonyl chloride, 5-methyl-2-(1-methylethyl)-, [1S-(1alpha,2beta,5alpha)]- (9CI)
CAS No:108235-79-6
MF:C11H19ClO
MW:202.720962762833
CID:894062
Update Time:2025-04-19
Cyclohexanecarbonyl chloride, 5-methyl-2-(1-methylethyl)-, [1S-(1alpha,2beta,5alpha)]- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Cyclohexanecarbonyl chloride, 5-methyl-2-(1-methylethyl)-, [1S-(1alpha,2beta,5alpha)]- (9CI)
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- Inchi： 1S/C11H19ClO/c1-7(2)9-5-4-8(3)10(6-9)11(12)13/h7-10H,4-6H2,1-3H3/t8-,9-,10-/m0/s1
- InChI Key： LUUNAAZMDHHAAH-GUBZILKMSA-N
- SMILES： [C@@H]1(C(C)C)C[C@H](C(=O)Cl)[C@@H](C)CC1
Computed Properties
- Exact Mass: 202.11257
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 189
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 4.3
Experimental Properties
- PSA: 17.07
Cyclohexanecarbonyl chloride, 5-methyl-2-(1-methylethyl)-, [1S-(1alpha,2beta,5alpha)]- (9CI) Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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