Basic information
- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC(=O)O- InChIKey
HHEWKQWDOFTKDJ-UHFFFAOYSA-N- Molecular formula
- C40H74O8
- Average molar mass
- 683 g/mol
- Monoisotopic mass
- 682.53836931
Names & identifiers
- Preferred name
- 2-Hexadecanoyloxy-1-(hexadecanoyloxymethyl)ethyl hydrogen glutarate
- IUPAC
- 5-[1,3-di(hexadecanoyloxy)propan-2-yloxy]-5-oxopentanoic acid
Names & synonyms
SCHEMBL10884043HHEWKQWDOFTKDJ-UHFFFAOYSA-N2-hexadecanoyloxy-1-(hexadecanoyloxymethyl)ethyl hydrogen glutarate
Database identifiers
- PubChem CID
- 23322903
Properties
Computed structural properties
- XLogP
- 14.4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 40
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 722
Related reactions
2 records
Compound notes
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