2-[(3RS)-3-hydroxy-trans-1-octenyl]-3-(5-carboethoxypentyloxy)-6-(trimethylacetoxymethyl)-4-pyrone
Basic information
- Standard SMILES
CCCCCC(O)/C=C/c1oc(COC(=O)C(C)(C)C)cc(=O)c1OCCCCCC(=O)OCC- InChIKey
PVGLNWFAXNRHET-FOCLMDBBSA-N- Molecular formula
- C27H42O8
- Average molar mass
- 494.6 g/mol
Names & identifiers
- Preferred name
- 2-[(3RS)-3-hydroxy-trans-1-octenyl]-3-(5-carboethoxypentyloxy)-6-(trimethylacetoxymethyl)-4-pyrone
- IUPAC
- ethyl 6-[6-(2,2-dimethylpropanoyloxymethyl)-2-[(E)-3-hydroxyoct-1-enyl]-4-oxopyran-3-yl]oxyhexanoate
Names & synonyms
SCHEMBL11469462PVGLNWFAXNRHET-FOCLMDBBSA-N2-[(3RS)-3-hydroxy-trans-1-octenyl]-3-(5-carboethoxypentyloxy)-6-(trimethylacetoxymethyl)-4-pyrone
Database identifiers
- PubChem CID
- 23344871
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 19
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 785
Related reactions
2 records
Compound notes
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