Basic information
- CAS
58327-12-1- Standard SMILES
CC1CC(OC(=O)C(C)Oc2ccccc2Cl)CC(C)(C)C1- InChIKey
SGEIFEGMWMUNTD-UHFFFAOYSA-N- Molecular formula
- C18H25ClO3
- Average molar mass
- 324.8 g/mol
- Monoisotopic mass
- 324.1492223
Names & identifiers
- Preferred name
- Propanoic acid, 2-(2-chlorophenoxy)-, 3,3,5-trimethylcyclohexyl ester
- IUPAC
- (3,3,5-trimethylcyclohexyl) 2-(2-chlorophenoxy)propanoate
Names & synonyms
58327-12-1Propanoic acid, 2-(2-chlorophenoxy)-, 3,3,5-trimethylcyclohexyl esterRefChem:1096843BRN 22908052-(2-Chlorophenoxy)propanoic acid 3,3,5-trimethylcyclohexyl esterDTXSID809738843,3,5-Trimethylcyclohexyl 2-(2-chlorophenoxy)propanoate
Database identifiers
- CAS
58327-12-1- PubChem CID
- 3045119
- DTXSID
DTXSID80973884
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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