Basic information
- Standard SMILES
CCOC(=O)CCCCCOc1c(C=CC(=O)CCc2ccccc2)occc1=O- InChIKey
MEMLBXFSYRGVSJ-UHFFFAOYSA-N- Molecular formula
- C24H28O6
- Average molar mass
- 412.5 g/mol
Names & identifiers
- Preferred name
- Ethyl 6-[4-oxo-2-(3-oxo-5-phenylpent-1-enyl)pyran-3-yl]oxyhexanoate
- IUPAC
- ethyl 6-[4-oxo-2-(3-oxo-5-phenylpent-1-enyl)pyran-3-yl]oxyhexanoate
Names & synonyms
SCHEMBL11480475
Database identifiers
- PubChem CID
- 54068129
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
2 records
Compound notes
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