3-Methylbutyl 4-(propan-2-yl)benzoate
Basic information
- CAS
6955-08-4- Standard SMILES
CC(C)CCOC(=O)c1ccc(C(C)C)cc1- InChIKey
CWHGLUSAELHATO-UHFFFAOYSA-N- Molecular formula
- C15H22O2
- Average molar mass
- 234.33 g/mol
- Monoisotopic mass
- 234.16197994
Names & identifiers
- Preferred name
- 3-Methylbutyl 4-(propan-2-yl)benzoate
- IUPAC
- 3-methylbutyl 4-propan-2-ylbenzoate
Names & synonyms
6955-08-43-methylbutyl 4-(propan-2-yl)benzoateNSC20068SCHEMBL19762358DTXSID60281095NSC-20068
Database identifiers
- CAS
6955-08-4- PubChem CID
- 227904
- DTXSID
DTXSID60281095
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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