2,3-Dihexadecoxypropyl hexadecanoate
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Basic information
- CAS
10322-42-6- Standard SMILES
CCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC- InChIKey
WZHJOGARONOIGB-UHFFFAOYSA-N- Molecular formula
- C51H102O4
- Average molar mass
- 779.4 g/mol
- Monoisotopic mass
- 778.77781173
Names & identifiers
- Preferred name
- 2,3-Dihexadecoxypropyl hexadecanoate
- IUPAC
- 2,3-dihexadecoxypropyl hexadecanoate
- English name
- Palmitic acid 2,3-bis(hexadecyloxy)propyl ester
- Molecular formula
- C51H102O4
- Molecular weight
- 779.35
Names & synonyms
2,3-dihexadecoxypropyl hexadecanoate10322-42-6DTXSID70348345RefChem:244676DTXCID00299417Palmitic acid 2,3-bis(hexadecyloxy)propyl esterPalmitic acid, 2,3-bis(hexadecyloxy)propyl ester2,3-bis(hexadecyloxy)propyl hexadecanoateHexadecanoic acid, 2,3-bis(hexadecyloxy)propyl esterWZHJOGARONOIGB-UHFFFAOYSA-N2,3-Bis(hexadecyloxy)propyl palmitate #1,2-di-O-hexadecyl-3-palmitoyl-rac-glycerol
Show more names
Hexadecanoic acid 2,3-bis(hexadecyloxy)propyl ester
Database identifiers
- CAS
10322-42-6- PubChem CID
- 635797
- DTXSID
DTXSID70348345- Nikkaji
- J111.094B
Properties
Computed structural propertiesFilling in
- XLogP
- 22.7
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 50
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 696
Physicochemical properties
- Boiling point
- 760.4 · 760.4±45.0 °C(Predicted)
- Density
- 0.878 · 0.878±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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