3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylbutanoate
Basic information
- CAS
58327-22-3- Standard SMILES
CCC(C)(Oc1ccc(Cl)cc1)C(=O)OC1CC(C)CC(C)(C)C1- InChIKey
GVRSNUHSBDXMRV-UHFFFAOYSA-N- Molecular formula
- C20H29ClO3
- Average molar mass
- 352.9 g/mol
- Monoisotopic mass
- 352.1805225
Names & identifiers
- Preferred name
- 3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylbutanoate
- IUPAC
- (3,3,5-trimethylcyclohexyl) 2-(4-chlorophenoxy)-2-methylbutanoate
Names & synonyms
58327-22-3DTXSID509738913,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylbutanoateRefChem:1065579DTXCID301401331BRN 22996882-(4-Chlorophenoxy)-2-methylbutanoic acid 3,3,5-trimethylcyclohexyl esterButanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 3,3,5-trimethylcyclohexyl ester
Database identifiers
- CAS
58327-22-3- PubChem CID
- 3045126
- DTXSID
DTXSID50973891
Properties
Computed structural properties
- XLogP
- 6.6
- 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
- 429
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…