Basic information
- Standard SMILES
CCOC(=O)CCCCCOc1c(CO)oc(COC(=O)C(C)(C)C)cc1=O- InChIKey
MBBIRFLKYDPAIG-UHFFFAOYSA-N- Molecular formula
- C20H30O8
- Average molar mass
- 398.4 g/mol
Names & identifiers
- Preferred name
- 2-Hydroxymethyl-3-(5-carboethoxypentyloxy)-6-(trimethylacetoxymethyl)-4-pyrone
- IUPAC
- ethyl 6-[6-(2,2-dimethylpropanoyloxymethyl)-2-(hydroxymethyl)-4-oxopyran-3-yl]oxyhexanoate
Names & synonyms
SCHEMBL11464234MBBIRFLKYDPAIG-UHFFFAOYSA-N2-hydroxymethyl-3-(5-carboethoxypentyloxy)-6-(trimethylacetoxymethyl)-4-pyrone
Database identifiers
- PubChem CID
- 23344856
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 625
Related reactions
6 records
Compound notes
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