Basic information
- Standard SMILES
CCOC(=O)CCCCCOc1c(CO)oc(C)cc1=O- InChIKey
PZYFGVWLDFRBPW-UHFFFAOYSA-N- Molecular formula
- C15H22O6
- Average molar mass
- 298.33 g/mol
Names & identifiers
- Preferred name
- 2-Hydroxymethyl-6-methyl-3-(5-carboethoxypentyloxy)-4-pyrone
- IUPAC
- ethyl 6-[2-(hydroxymethyl)-6-methyl-4-oxopyran-3-yl]oxyhexanoate
Names & synonyms
SCHEMBL11481775PZYFGVWLDFRBPW-UHFFFAOYSA-N2-hydroxymethyl-6-methyl-3-(5-carboethoxypentyloxy)-4-pyrone
Database identifiers
- PubChem CID
- 23344858
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 435
Related reactions
6 records
Compound notes
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