Basic information
- CAS
58327-19-8- Standard SMILES
CC1CC(OC(=O)C(Oc2ccccc2Cl)C(C)C)CC(C)(C)C1- InChIKey
ZFWYBCWBTADNEF-UHFFFAOYSA-N- Molecular formula
- C20H29ClO3
- Average molar mass
- 352.9 g/mol
- Monoisotopic mass
- 352.1805225
Names & identifiers
- Preferred name
- Butanoic acid, 2-(2-chlorophenoxy)-3-methyl-, 3,3,5-trimethylcyclohexyl ester
- IUPAC
- (3,3,5-trimethylcyclohexyl) 2-(2-chlorophenoxy)-3-methylbutanoate
Names & synonyms
58327-19-8Butanoic acid, 2-(2-chlorophenoxy)-3-methyl-, 3,3,5-trimethylcyclohexyl esterRefChem:1080315BRN 22950852-(2-Chlorophenoxy)-3-methylbutanoic acid 3,3,5-trimethylcyclohexyl esterDTXSID809738893,3,5-TRIMETHYLCYCLOHEXYL 2-(2-CHLOROPHENOXY)-3-METHYLBUTANOATE
Database identifiers
- CAS
58327-19-8- PubChem CID
- 3045124
- DTXSID
DTXSID80973889
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…