Octyl 12-hydroxyoctadecanoate
Basic information
- CAS
74819-90-2- Standard SMILES
CCCCCCCCOC(=O)CCCCCCCCCCC(O)CCCCCC- InChIKey
ASUSBOZIBYQNDS-UHFFFAOYSA-N- Molecular formula
- C26H52O3
- Average molar mass
- 412.7 g/mol
- Monoisotopic mass
- 412.39164552
Names & identifiers
- Preferred name
- Octyl 12-hydroxyoctadecanoate
- IUPAC
- octyl 12-hydroxyoctadecanoate
- English name
- Octyl 12-hydroxystearate
- Molecular formula
- C26H52O3
- Molecular weight
- 412.69
Names & synonyms
Octyl 12-hydroxyoctadecanoate74819-90-2DTXSID3034583012-Hydroxy-octadecanoic acid, octyl esterRefChem:366905DTXCID20296903ASUSBOZIBYQNDS-UHFFFAOYSA-NOCTYL 12-HYDROXYSTEARATESCHEMBL1140871Octyl 12-hydroxyoctadecanoate #Octadecanoic acid, 12-hydroxy-, octyl ester
Database identifiers
- CAS
74819-90-2- PubChem CID
- 607406
- DTXSID
DTXSID30345830
Properties
Computed structural properties
- XLogP
- 10
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 24
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 330
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Related reactions
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Compound notes
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