Basic information
- Standard SMILES
CCOC(=O)CCCCCOc1c(/C=C/C(=O)CCc2ccccc2)occc1=O- InChIKey
MEMLBXFSYRGVSJ-CCEZHUSRSA-N- Molecular formula
- C24H28O6
- Average molar mass
- 412.5 g/mol
Names & identifiers
- Preferred name
- 2-(3-Oxo-5-phenyl-trans-1-pentenyl)-3-(5-carboethoxypentyloxy)-4-pyrone
- IUPAC
- ethyl 6-[4-oxo-2-[(E)-3-oxo-5-phenylpent-1-enyl]pyran-3-yl]oxyhexanoate
Names & synonyms
SCHEMBL11480473MEMLBXFSYRGVSJ-CCEZHUSRSA-N2-(3-oxo-5-phenyl-trans-1-pentenyl)-3-(5-carboethoxypentyloxy)-4-pyrone
Database identifiers
- PubChem CID
- 23344864
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 667
Related reactions
4 records
Compound notes
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