Basic information
- Standard SMILES
CCCCC/C=C\C/C=C\CCCCCCCCOC(COC(=O)CCC(=O)O)CN(C)C- InChIKey
RPSDWBJGWJHGKD-MURFETPASA-N- Molecular formula
- C27H49NO5
- Average molar mass
- 467.7 g/mol
Names & identifiers
- Preferred name
- 4-(3-(dimethylamino)-2-((9Z,12Z)-octadeca-9,12-dienyloxy)propoxy)-4-oxobutanoic acid
- IUPAC
- 4-[3-(dimethylamino)-2-[(9Z,12Z)-octadeca-9,12-dienoxy]propoxy]-4-oxobutanoic acid
Names & synonyms
SCHEMBL2184121RPSDWBJGWJHGKD-MURFETPASA-N4-(3-(dimethylamino)-2-((9Z,12Z)-octadeca-9,12-dienyloxy)propoxy)-4-oxobutanoic acid
Database identifiers
- PubChem CID
- 58332297
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 24
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 531
Related reactions
7 records
Compound notes
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