2,3-Dipropionyloxypropyl docosanoate
Basic information
- CAS
56149-07-6- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC)OC(=O)CC- InChIKey
OCYWSQCIAYHRRU-UHFFFAOYSA-N- Molecular formula
- C31H58O6
- Average molar mass
- 526.8 g/mol
- Monoisotopic mass
- 526.42333957
Names & identifiers
- Preferred name
- 2,3-Dipropionyloxypropyl docosanoate
- IUPAC
- 2,3-di(propanoyloxy)propyl docosanoate
- English name
- 2,3-dipropionyloxypropyl docosanoate
- Molecular formula
- C31H58O6
- Molecular weight
- 526.79
Names & synonyms
56149-07-62,3-Dipropionyloxypropyl docosanoateEINECS 260-020-22,3-BIS(PROPANOYLOXY)PROPYL DOCOSANOATEDTXSID40971528OCYWSQCIAYHRRU-UHFFFAOYSA-NNS00055084Docosanoic acid, 2,3-bis(1-oxopropoxy)propyl esterDocosanoic acid 2,3-bis[(1-oxopropyl)oxy]propyl ester
Database identifiers
- CAS
56149-07-6- PubChem CID
- 92029
- DTXSID
DTXSID40971528- EC Number
- 260-020-2
- Nikkaji
- J296.587I
Properties
Computed structural properties
- XLogP
- 11.5
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 30
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 548
Physicochemical properties
- Boiling point
- 555.8 · 555.8±17.0 °C(Predicted)
- Density
- 0.955 · 0.955±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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