2,3-Bis((1-oxooctyl)oxy)propyl docosanoate
Basic information
- CAS
56149-10-1- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC- InChIKey
VKKGBDRVEPPFDR-UHFFFAOYSA-N- Molecular formula
- C41H78O6
- Average molar mass
- 667.1 g/mol
- Monoisotopic mass
- 666.5798402
Names & identifiers
- Preferred name
- 2,3-Bis((1-oxooctyl)oxy)propyl docosanoate
- IUPAC
- 2,3-di(octanoyloxy)propyl docosanoate
- English name
- 2,3-bis[(1-oxooctyl)oxy]propyl docosanoate
- Molecular formula
- C41H78O6
- Molecular weight
- 667.05
Names & synonyms
56149-10-12,3-bis(octanoyloxy)propyl docosanoate2,3-Bis((1-oxooctyl)oxy)propyl docosanoateTG 8:0_8:0_22:0EINECS 260-021-8DTXSID00971529VKKGBDRVEPPFDR-UHFFFAOYSA-NNS000559762,3-bis[(1-oxooctyl)oxy]propyl docosanoateDocosanoic acid 2,3-bis[(1-oxooctyl)oxy]propyl ester
Database identifiers
- CAS
56149-10-1- PubChem CID
- 92030
- DTXSID
DTXSID00971529- EC Number
- 260-021-8
- Nikkaji
- J296.588G
Properties
Computed structural properties
- XLogP
- 16.5
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 40
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 693
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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