Basic information
- CAS
53068-88-5- Standard SMILES
CCOC(=O)CCC(C)C(C)=O- InChIKey
KWCNANFMHITWAH-UHFFFAOYSA-N- Molecular formula
- C9H16O3
- Average molar mass
- 172.22 g/mol
Names & identifiers
- Preferred name
- 3-Methyl-4-oxo-pentane-1-carboxylic acid ethyl ester
- IUPAC
- ethyl 4-methyl-5-oxohexanoate
Names & synonyms
53068-88-5NSC1575653-methyl-4-oxo-pentane-1-carboxylic acid ethyl esterSCHEMBL11344658KWCNANFMHITWAH-UHFFFAOYSA-NNSC-157565
Database identifiers
- CAS
53068-88-5- PubChem CID
- 291975
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Related reactions
1 records
Compound notes
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