Basic information
- CAS
68130-51-8- Standard SMILES
CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC)(COC(=O)CCCCCCC)COC(=O)CC(C)C- InChIKey
HEOVQHQGCAUONE-UHFFFAOYSA-N- Molecular formula
- C37H68O8
- Average molar mass
- 640.9 g/mol
- Monoisotopic mass
- 640.49141912
Names & identifiers
- Preferred name
- [2-(Heptanoyloxymethyl)-2-(3-methylbutanoyloxymethyl)-3-octanoyloxypropyl] dodecanoate
- IUPAC
- [2-(heptanoyloxymethyl)-2-(3-methylbutanoyloxymethyl)-3-octanoyloxypropyl] dodecanoate
Names & synonyms
HEOVQHQGCAUONE-UHFFFAOYSA-NNS00121877
Database identifiers
- CAS
68130-51-8- PubChem CID
- 3085367
Properties
Computed structural properties
- XLogP
- 11.8
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 35
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 766
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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