5-Hydroxy-octanoic acid
Basic information
- CAS
17369-50-5- Standard SMILES
CCCC(O)CCCC(=O)O- InChIKey
LAWNVEFFZXVKAN-UHFFFAOYSA-N- Molecular formula
- C8H16O3
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.10994437
Overview
5-hydroxy-octanoic acid is a medium-chain fatty acid.
Names & identifiers
- Preferred name
- 5-Hydroxy-octanoic acid
- IUPAC
- 5-hydroxyoctanoic acid
- English name
- 5-Hydroxycaprylic acid
- Molecular formula
- C8H16O3
- Molecular weight
- 160.21
Names & synonyms
5-hydroxy-octanoic acidRefChem:10730085-hydroxyoctanoic acid5-hydroxycaprylic acid17369-50-5Octanoic acid, 5-hydroxy-QBW8G7HU58UNII-QBW8G7HU58SCHEMBL380857CHEBI:180039LMFA010502275-Hydroxy-octansaeure
Database identifiers
- CAS
17369-50-5- PubChem CID
- 34663
- ChEBI
CHEBI:180039- UNII
- QBW8G7HU58
- Nikkaji
- J262.009J
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 112
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Physicochemical properties
- Boiling point
- 291.2 · 291.2±23.0 °C(Predicted)
- Density
- 1.046 · 1.046±0.06 g/cm3(Predicted)
- pka
- 4.71 · 4.71±0.10(Predicted)
- FDA UNII
- 8 G7HU58 · QBW8G7HU58
Chemistry & industry
Additional notes
DefinitionChEBI: 5-hydroxy-octanoic acid is a medium-chain fatty acid.
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