Basic information
- Standard SMILES
CCOC(=O)CCCCCOc1c(/C=C/C(O)CCc2ccccc2)occc1=O- InChIKey
OZEIAZOLIRPYAR-CCEZHUSRSA-N- Molecular formula
- C24H30O6
- Average molar mass
- 414.5 g/mol
Names & identifiers
- Preferred name
- 2-[(3RS)-3-hydroxy-5-phenyl-trans-1-pentenyl]-3-(5-carboethoxypentyloxy)-4-pyrone
- IUPAC
- ethyl 6-[2-[(E)-3-hydroxy-5-phenylpent-1-enyl]-4-oxopyran-3-yl]oxyhexanoate
Names & synonyms
SCHEMBL11472801OZEIAZOLIRPYAR-CCEZHUSRSA-N2-[(3RS)-3-hydroxy-5-phenyl-trans-1-pentenyl]-3-(5-carboethoxypentyloxy)-4-pyrone
Database identifiers
- PubChem CID
- 23344865
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 628
Related reactions
2 records
Compound notes
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