Basic information
- CAS
56414-56-3- Standard SMILES
CCCCCCC(O)C/C=C\CCCCCCCC(=O)OCC(C)OC(=O)CCCCCCC/C=C\CC(O)CCCCCC- InChIKey
OMERZWZBMKPVFL-GJEUYDLNSA-N- Molecular formula
- C39H72O6
- Average molar mass
- 637 g/mol
- Monoisotopic mass
- 636.53289001
Names & identifiers
- Preferred name
- 1-Methyl-1,2-ethanediyl bis(12-hydroxy-9-octadecenoate)
- IUPAC
- 2-[(Z)-12-hydroxyoctadec-9-enoyl]oxypropyl (Z)-12-hydroxyoctadec-9-enoate
Names & synonyms
EINECS 260-163-056414-56-31-Methyl-1,2-ethanediyl bis(12-hydroxy-9-octadecenoate)
Database identifiers
- CAS
56414-56-3- PubChem CID
- 6436611
- EC Number
- 260-163-0
Properties
Computed structural properties
- XLogP
- 12.3
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 35
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 718
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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