Basic information
- Standard SMILES
CCCCC/C=C\C/C=C\CCCCCCCCOCCC(CN(C)C)OC(=O)CCC(=O)O- InChIKey
NDPCSDISBMXPIP-MURFETPASA-N- Molecular formula
- C28H51NO5
- Average molar mass
- 481.7 g/mol
- Monoisotopic mass
- 481.37672373
Names & identifiers
- Preferred name
- 4-(1-(dimethylamino)-4-((9Z,12Z)-octadeca-9,12-dienyloxy)butan-2-yloxy)-4-oxobutanoic acid
- IUPAC
- 4-[1-(dimethylamino)-4-[(9Z,12Z)-octadeca-9,12-dienoxy]butan-2-yl]oxy-4-oxobutanoic acid
Names & synonyms
SCHEMBL1127752NDPCSDISBMXPIP-MURFETPASA-N4-(1-(dimethylamino)-4-((9Z,12Z)-octadeca-9,12-dienyloxy)butan-2-yloxy)-4-oxobutanoic acid4-(1-(dimethylamino)-4-((9Z,12Z)-octadeca-9,12-dienyloxy)butan-2-yloxy)-4-oxobutanoicacid
Database identifiers
- PubChem CID
- 58332292
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 25
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 545
Related reactions
7 records
Compound notes
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