1-(Decanoyloxy)-2-(octanoyloxy)ethyl dodecanoate
Basic information
- CAS
68411-73-4- Standard SMILES
CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC)OC(=O)CCCCCCCCC- InChIKey
BKPIDSZKWXYETM-UHFFFAOYSA-N- Molecular formula
- C32H60O6
- Average molar mass
- 540.8 g/mol
- Monoisotopic mass
- 540.43898963
Names & identifiers
- Preferred name
- 1-(Decanoyloxy)-2-(octanoyloxy)ethyl dodecanoate
- IUPAC
- (1-decanoyloxy-2-octanoyloxyethyl) dodecanoate
Names & synonyms
DTXSID309880041-(DECANOYLOXY)-2-(OCTANOYLOXY)ETHYL DODECANOATE
Database identifiers
- CAS
68411-73-4- PubChem CID
- 3085378
- DTXSID
DTXSID30988004
Properties
Computed structural properties
- XLogP
- 12.3
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 31
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 562
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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