Basic information
- Standard SMILES
CCCCCC=CCC=CCCCCCCCC(O)C(CCCCCCCC=CCC=CCCCCC)OC(=O)CCCN(C)C- InChIKey
RHAORTHYJWSXNB-UHFFFAOYSA-N- Molecular formula
- C42H77NO3
- Average molar mass
- 644.1 g/mol
Names & identifiers
- Preferred name
- 19-Hydroxyhexatriaconta-6,9,27,30-tetraen-18-yl 4-(dimethylamino)butanoate
- IUPAC
- 19-hydroxyhexatriaconta-6,9,27,30-tetraen-18-yl 4-(dimethylamino)butanoate
Names & synonyms
SCHEMBL2641842RHAORTHYJWSXNB-UHFFFAOYSA-N19-hydroxyhexatriaconta-6,9,27,30-tetraen-18-yl 4-(dimethylamino)butanoate
Database identifiers
- PubChem CID
- 76166364
Properties
Computed structural properties
- XLogP
- 14.3
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 35
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 754
Related reactions
1 records
Compound notes
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