3,3,5-Trimethylcyclohexyl 2-(2-chlorophenoxy)-2-methylpropanoate
Basic information
- CAS
58327-16-5- Standard SMILES
CC1CC(OC(=O)C(C)(C)Oc2ccccc2Cl)CC(C)(C)C1- InChIKey
NAGXRJDOCHFQFA-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-(2-chlorophenoxy)-2-methylpropanoate
- IUPAC
- (3,3,5-trimethylcyclohexyl) 2-(2-chlorophenoxy)-2-methylpropanoate
Names & synonyms
3,3,5-Trimethylcyclohexyl 2-(2-chlorophenoxy)-2-methylpropanoate58327-16-5DTXSID20973888RefChem:1065578DTXCID601401328BRN 23002832-(2-Chlorophenoxy)-2-methylpropanoic acid 3,3,5-trimethylcyclohexyl esterPropanoic acid, 2-(2-chlorophenoxy)-2-methyl-, 3,3,5-trimethylcyclohexyl ester
Database identifiers
- CAS
58327-16-5- PubChem CID
- 3045123
- DTXSID
DTXSID20973888
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
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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