Basic information
- CAS
94200-85-8- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC- InChIKey
DOGUBKIAUPWEJM-UHFFFAOYSA-N- Molecular formula
- C35H66O6
- Average molar mass
- 582.9 g/mol
- Monoisotopic mass
- 582.48593982
Names & identifiers
- Preferred name
- 2,3-Bis((1-oxooctyl)oxy)propyl palmitate
- IUPAC
- 2,3-di(octanoyloxy)propyl hexadecanoate
- English name
- 2,3-bis[(1-oxooctyl)oxy]propyl palmitate
- Molecular formula
- C35H66O6
- Molecular weight
- 582.89
Names & synonyms
94200-85-8EINECS 303-565-42,3-Bis((1-oxooctyl)oxy)propyl palmitateTG 8:0_8:0_16:02,3-BIS(OCTANOYLOXY)PROPYL HEXADECANOATEorb3212970DTXSID50916162DOGUBKIAUPWEJM-UHFFFAOYSA-NNS000653162,3-di(octanoyloxy)propyl hexadecanoate2,3-bis[(1-oxooctyl)oxy]propyl palmitatePalmitic acid 2,3-bis[(1-oxooctyl)oxy]propyl ester
Show more names
Hexadecanoic acid, 2,3-bis[(1-oxooctyl)oxy]propyl ester
Database identifiers
- CAS
94200-85-8- PubChem CID
- 3023969
- DTXSID
DTXSID50916162- EC Number
- 303-565-4
- Nikkaji
- J319.126E
Properties
Computed structural properties
- XLogP
- 13.3
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 34
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 605
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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