Basic information
- Standard SMILES
CC(C)CC(=O)C(=O)OCc1ccccc1- InChIKey
SOVNRTNKFRLUDW-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Names & identifiers
- Preferred name
- Benzyl 4-methyl-2-oxopentanoate
- IUPAC
- benzyl 4-methyl-2-oxopentanoate
Names & synonyms
Benzyl 4-methyl-2-oxo-pentanoate96136-13-9benzyl 4-methyl-2-oxopentanoateBENZYL-2-KETO-ISOHEXANOATESCHEMBL6654150SOVNRTNKFRLUDW-UHFFFAOYSA-NMFCD00190935AKOS0252127354-Methyl-2-oxo-pentanoic acid, benzyl ester
Database identifiers
- PubChem CID
- 4072499
- Nikkaji
- J1.337.207A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 240
Related reactions
10 records
Compound notes
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