13-Hydroxyhexadecanoic acid
Basic information
- CAS
59642-39-6- Standard SMILES
CCCC(O)CCCCCCCCCCCC(=O)O- InChIKey
RPTGBPWFRSJPOM-UHFFFAOYSA-N- Molecular formula
- C16H32O3
- Average molar mass
- 272.42 g/mol
- Monoisotopic mass
- 272.23514488
Overview
13-Hydroxyhexadecanoic acid is a long-chain fatty acid.
Names & identifiers
- Preferred name
- 13-Hydroxyhexadecanoic acid
- IUPAC
- 13-hydroxyhexadecanoic acid
- English name
- 13-Hydroxyhexadecanoic acid
- Molecular formula
- C16H32O3
- Molecular weight
- 272.42
Names & synonyms
13-Hydroxyhexadecanoic acid59642-39-6RefChem:23650713-hydroxypalmitic acidHexadecanoic acid, 13-hydroxy-SCHEMBL1301396CHEBI:230021DTXSID501310829G63517
Database identifiers
- CAS
59642-39-6- PubChem CID
- 15569769
- DTXSID
DTXSID501310829- ChEBI
CHEBI:230021- Nikkaji
- J297.086D
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Melting point
- 80 · 80.0-80.5 °C
- Boiling point
- 409.4 · 409.4±18.0 °C(Predicted)
- Density
- 0.955 · 0.955±0.06 g/cm3(Predicted)
- pka
- 4.78 · 4.78±0.10(Predicted)
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Related reactions
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Compound notes
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