Basic information
- CAS
477218-59-0- Standard SMILES
CC(OC(=O)CCl)C1CCCC(C)(C)C1- InChIKey
YPPHDCQZYJMYDN-UHFFFAOYSA-N- Molecular formula
- C12H21ClO2
- Average molar mass
- 232.74 g/mol
- Monoisotopic mass
- 232.1230076
Names & identifiers
- Preferred name
- Acetic acid, 2-chloro-, 1-(3,3-dimethylcyclohexyl)ethyl ester
- IUPAC
- 1-(3,3-dimethylcyclohexyl)ethyl 2-chloroacetate
Names & synonyms
477218-59-0SCHEMBL5050135YPPHDCQZYJMYDN-UHFFFAOYSA-NDTXSID2012443761-(3,3-Dimethylcyclohexyl)ethyl chloroacetate1-(3,3-dimethylcyclohexyl)ethyl 2-chloroacetatechloroacetic acid 1-(3,3-dimethylcyclohexyl)ethyl esterAcetic acid, 2-chloro-, 1-(3,3-dimethylcyclohexyl)ethyl ester
Database identifiers
- CAS
477218-59-0- PubChem CID
- 87769774
- DTXSID
DTXSID201244376
Properties
Computed structural properties
- XLogP
- 4.2
- 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
- 226
Related reactions
1 records
Compound notes
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