Basic information
- Standard SMILES
CCOC(=O)CCCCc1ccc(CCCCCCO)c(CCC(=O)OCC)c1- InChIKey
CHWNDZMCZDYABE-UHFFFAOYSA-N- Molecular formula
- C24H38O5
- Average molar mass
- 406.6 g/mol
Names & identifiers
- Preferred name
- 3-(3-Ethoxy-3-oxopropyl)-4-(6-hydroxyhexyl)benzenepentanoic acid ethyl ester
- IUPAC
- ethyl 5-[3-(3-ethoxy-3-oxopropyl)-4-(6-hydroxyhexyl)phenyl]pentanoate
Names & synonyms
SCHEMBL9119959CHWNDZMCZDYABE-UHFFFAOYSA-N3-(3-ethoxy-3-oxopropyl)-4-(6-hydroxyhexyl)benzenepentanoic acid ethyl ester
Database identifiers
- PubChem CID
- 53721985
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 18
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 437
Related reactions
3 records
Compound notes
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