Basic information
- CAS
17564-84-0- Standard SMILES
CC1CC(OC(=O)COc2ccc(Cl)cc2)CC(C)(C)C1- InChIKey
NTTYCVOEHUDYOK-UHFFFAOYSA-N- Molecular formula
- C17H23ClO3
- Average molar mass
- 310.8 g/mol
- Monoisotopic mass
- 310.1335723
Names & identifiers
- Preferred name
- 3,3,5-Trimethylcyclohexyl (4-chlorophenoxy)acetate
- IUPAC
- (3,3,5-trimethylcyclohexyl) 2-(4-chlorophenoxy)acetate
Names & synonyms
17564-84-0DTXSID809386903,3,5-Trimethylcyclohexyl (4-chlorophenoxy)acetateRefChem:1065577DTXCID601367211(4-Chlorophenoxy)acetic acid 3,3,5-trimethylcyclohexyl esterACETIC ACID, (4-CHLOROPHENOXY)-, 3,3,5-TRIMETHYLCYCLOHEXYL ESTER
Database identifiers
- CAS
17564-84-0- PubChem CID
- 28596
- DTXSID
DTXSID80938690
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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