Basic information
- CAS
69688-49-9- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCC- InChIKey
GMACMLAJAWQCMV-UHFFFAOYSA-N- Molecular formula
- C48H94O4
- Average molar mass
- 735.3 g/mol
Names & identifiers
- Preferred name
- Octadecanoic acid, 1-[(tetradecyloxy)carbonyl]pentadecyl ester
- IUPAC
- (1-oxo-1-tetradecoxyhexadecan-2-yl) octadecanoate
- English name
- Stearic acid 1-[(tetradecyloxy)carbonyl]pentadecyl ester
- Molecular formula
- C48H94O4
- Molecular weight
- 735.26
Names & synonyms
GMACMLAJAWQCMV-UHFFFAOYSA-NOctadecanoic acid, 1-[(tetradecyloxy)carbonyl]pentadecyl ester1-[(Tetradecyloxy)carbonyl]pentadecyl stearate #69688-49-9Stearic acid 1-[(tetradecyloxy)carbonyl]pentadecyl ester
Database identifiers
- CAS
69688-49-9- Nikkaji
- J108.576J
Properties
Computed structural properties
- XLogP
- 22.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 46
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 706
Physicochemical properties
- Boiling point
- 731.3 · 731.3±33.0 °C(Predicted)
- Density
- 0.887 · 0.887±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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