Basic information
- Standard SMILES
CCCCC(OC(C)=O)c1ccccc1- InChIKey
UNBGLXOZZKYZEN-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
Names & identifiers
- Preferred name
- Phenylpentanol acetate
- IUPAC
- 1-phenylpentyl acetate
Names & synonyms
phenylpentanol acetate1-phenyl-1-pentanol acetateSCHEMBL6666615UNBGLXOZZKYZEN-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 3753796
- Nikkaji
- J155.107H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 183
Related reactions
3 records
Compound notes
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