Basic information
- Standard SMILES
CCCCC/C=C\CCCC(CCC/C=C\CCCCC)C(CCC/C=C\CCCCC)OC(=O)CCCCCN(C)C- InChIKey
WLCODOOBPYTABW-ASSJVFBPSA-N- Molecular formula
- C40H75NO2
- Average molar mass
- 602 g/mol
- Monoisotopic mass
- 601.57978064
Names & identifiers
- Preferred name
- (6Z,16Z)-12-((Z)-dec-4-enyl)docosa-6,16-dien-11-yl 6-(dimethylamino)hexanoate
- IUPAC
- [(6Z,16Z)-12-[(Z)-dec-4-enyl]docosa-6,16-dien-11-yl] 6-(dimethylamino)hexanoate
Names & synonyms
SCHEMBL15220014WLCODOOBPYTABW-ASSJVFBPSA-N(6Z,16Z)-12-((Z)-dec-4-enyl)docosa-6,16-dien-11-yl 6-(dimethylamino)hexanoate
Database identifiers
- PubChem CID
- 89775017
Properties
Computed structural properties
- XLogP
- 14.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 33
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 639
Related reactions
4 records
Compound notes
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