Basic information
- CAS
111790-62-6- Standard SMILES
CCC(C)OC(=O)C1CCC(Cl)CC1C- InChIKey
CVDTYSSDCJAEQU-UHFFFAOYSA-N- Molecular formula
- C12H21ClO2
- Average molar mass
- 232.74 g/mol
- Monoisotopic mass
- 232.1230076
Names & identifiers
- Preferred name
- Sec-butyl 4-chloro-2-methylcyclohexanecarboxylate
- IUPAC
- butan-2-yl 4-chloro-2-methylcyclohexane-1-carboxylate
Names & synonyms
Sec-butyl 4-chloro-2-methylcyclohexanecarboxylate111790-62-6UNII-5OA92L2S3W5OA92L2S3WCyclohexanecarboxylic acid, 4-chloro-2-methyl-, 1-methylpropyl esterDTXSID50340509RefChem:182117DTXCID80291590butan-2-yl 4-chloro-2-methylcyclohexane-1-carboxylateCVDTYSSDCJAEQU-UHFFFAOYSA-NSec-butyl 4-chloro-2-methylcyclohexanecarboxylate #1-Methylpropyl 4-chloro-2-methylcyclohexanecarboxylate
Show more names
Q27262634Cyclohexanecarboxylic acid, 4-chloro-trans-2-methyl-, 1-methylpropyl ester
Database identifiers
- CAS
111790-62-6- PubChem CID
- 565343
- DTXSID
DTXSID50340509- UNII
- 5OA92L2S3W
- Nikkaji
- J3.187.032A
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 218
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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