Methyl 6-hydroxyoctadecanoate
Basic information
- CAS
2379-94-4- Standard SMILES
CCCCCCCCCCCCC(O)CCCCC(=O)OC- InChIKey
LCFAELUIVWCIJF-UHFFFAOYSA-N- Molecular formula
- C19H38O3
- Average molar mass
- 314.5 g/mol
- Monoisotopic mass
- 314.28209507
Names & identifiers
- Preferred name
- Methyl 6-hydroxyoctadecanoate
- IUPAC
- methyl 6-hydroxyoctadecanoate
- English name
- 6-Hydroxyoctadecanoic acid methyl ester
- Molecular formula
- C19H38O3
- Molecular weight
- 314.5
Names & synonyms
Methyl 6-hydroxyoctadecanoateMethyl 6-hydroxystearate2379-94-4Octadecanoic acid, 6-hydroxy-, methyl esterMethyl 6-hydroxyoctadecanoate #SCHEMBL15153576DTXSID803398256-Hydroxyoctadecanoic acid methyl ester
Database identifiers
- CAS
2379-94-4- PubChem CID
- 559013
- DTXSID
DTXSID80339825- Nikkaji
- J108.386D
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 56 · 56-57 °C
- Boiling point
- 399.7 · 399.7±25.0 °C(Predicted)
- Density
- 0.915 · 0.915±0.06 g/cm3(Predicted)
- pka
- 15.14 · 15.14±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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