Butyric acid, 3,5-dimethylphenyl ester
Basic information
- Standard SMILES
CCCC(=O)Oc1cc(C)cc(C)c1- InChIKey
ARQBYJXHHMRZOF-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
Names & identifiers
- Preferred name
- Butyric acid, 3,5-dimethylphenyl ester
- IUPAC
- (3,5-dimethylphenyl) butanoate
Names & synonyms
Butyric acid, 3,5-dimethylphenyl esterbutyryloxy-3,5-dimethyl-benzeneSCHEMBL107485771-butyryloxy-3,5-dimethyl-benzene
Database identifiers
- PubChem CID
- 532286
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 179
Related reactions
6 records
Compound notes
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