Ethyl 2-acetyl-5-oxo-3,5-diphenylpentanoate
Basic information
- CAS
6265-29-8- Standard SMILES
CCOC(=O)C(C(C)=O)C(CC(=O)c1ccccc1)c1ccccc1- InChIKey
MVQJJXSXJYJFMH-UHFFFAOYSA-N- Molecular formula
- C21H22O4
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.15180918
Names & identifiers
- Preferred name
- Ethyl 2-acetyl-5-oxo-3,5-diphenylpentanoate
- IUPAC
- ethyl 2-acetyl-5-oxo-3,5-diphenylpentanoate
Names & synonyms
6265-29-8NIOSH/MW4996666MW49966660Ethyl alpha-acetyl-beta-phenacylhydrocinnamateEthyl 2-acetyl-5-oxo-3,5-diphenylpentanoateHydrocinnamic acid, alpha-acetyl-beta-phenacyl-, ethyl esterBenzenepentanoic acid, alpha-acetyl-delta-oxo-beta-phenyl-, ethyl esterNSC78392SCHEMBL7107026DTXSID90283527MVQJJXSXJYJFMH-UHFFFAOYSA-NNSC31949
Show more names
NSC-31949NSC-783924-ethoxycarbonyl-1,3-diphenyl-1,5-hexanedioneEthyl 2-acetyl-5-oxo-3,5-diphenylpentanoate #Pentanoic acid, 2-acetyl-5-oxo-3,5-diphenyl-, ethyl ester
Database identifiers
- CAS
6265-29-8- PubChem CID
- 233433
- DTXSID
DTXSID90283527- Nikkaji
- J820.762C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 459
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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