Basic information
- CAS
4253-64-9- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCC(=O)O- InChIKey
UMBHGGZUUFXXIL-UHFFFAOYSA-N- Molecular formula
- C21H40O4
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.29265975
Names & identifiers
- Preferred name
- 3-(Octadecanoyloxy)propanoic acid
- IUPAC
- 3-octadecanoyloxypropanoic acid
Names & synonyms
3-(octadecanoyloxy)propanoic acid3-(Stearoyloxy)propanoic acid3-octadecanoyloxypropanoic acid803617-71-2SCHEMBL11667303DTXSID60962554EINECS 224-222-4MFCD32206218AKOS037645529AS-61231
Database identifiers
- CAS
4253-64-9、803617-71-2- PubChem CID
- 77930
- DTXSID
DTXSID60962554
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 20
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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