3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylpropanoate
Basic information
- CAS
58327-15-4- Standard SMILES
CC1CC(OC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC(C)(C)C1- InChIKey
CMOOEBBRWSCLNF-UHFFFAOYSA-N- Molecular formula
- C19H27ClO3
- Average molar mass
- 338.9 g/mol
- Monoisotopic mass
- 338.1648724
Names & identifiers
- Preferred name
- 3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylpropanoate
- IUPAC
- (3,3,5-trimethylcyclohexyl) 2-(4-chlorophenoxy)-2-methylpropanoate
Names & synonyms
3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylpropanoate58327-15-4DTXSID60973887RefChem:1065580DTXCID9014013272-(4-Chlorophenoxy)-2-methylpropanoic acid 3,3,5-trimethylcyclohexyl esterPropanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 3,3,5-trimethylcyclohexyl ester
Database identifiers
- CAS
58327-15-4- PubChem CID
- 3045122
- DTXSID
DTXSID60973887
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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