1-(((1-Oxohexadecyl)oxy)methyl)-2-((1-oxooctadecyl)oxy)ethyl (E)-9-octadecenoate
Basic information
- CAS
94481-68-2- Standard SMILES
CCCCCCCC/C=C/CCCCCCC(CC)(OC(=O)CCCCCCCCCCCCCCCCC)C(=O)OCOC(=O)CCCCCCCCCCCCCCC- InChIKey
BDOJETRYMYMVBI-VEWQFJOQSA-N- Molecular formula
- C55H104O6
- Average molar mass
- 861.4 g/mol
- Monoisotopic mass
- 860.78329103
Names & identifiers
- Preferred name
- 1-(((1-Oxohexadecyl)oxy)methyl)-2-((1-oxooctadecyl)oxy)ethyl (E)-9-octadecenoate
- IUPAC
- hexadecanoyloxymethyl (E)-2-ethyl-2-octadecanoyloxyoctadec-9-enoate
Names & synonyms
94481-68-2EINECS 305-395-61-(((1-Oxohexadecyl)oxy)methyl)-2-((1-oxooctadecyl)oxy)ethyl (E)-9-octadecenoate
Database identifiers
- CAS
94481-68-2- PubChem CID
- 44147693
- EC Number
- 305-395-6
Properties
Computed structural properties
- XLogP
- 23.9
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 52
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 977
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