Hexadecanoic acid, 4-hydroxybutyl ester
Basic information
- CAS
18498-23-2- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCCCCO- InChIKey
XWFLUBQOIDFKOM-UHFFFAOYSA-N- Molecular formula
- C20H40O3
- Average molar mass
- 328.5 g/mol
- Monoisotopic mass
- 328.29774513
Overview
Palmitic acid, 4-hydroxybutyl ester is a fatty acid ester.
Names & identifiers
- Preferred name
- Hexadecanoic acid, 4-hydroxybutyl ester
- IUPAC
- 4-hydroxybutyl hexadecanoate
Names & synonyms
Palmitic acid, 4-hydroxybutyl esterO-Palmitoylbutane-1,4-diol1,4-Butanediol monopalmitateBRN 1878168Hexadecanoic acid, 4-hydroxybutyl ester18498-23-2AI3-31697Hexadecanoic acid, 4-hydroxybutyl ester (9CI)DTXSID60171689RefChem:347460DTXCID20941804-hydroxybutyl hexadecanoate
Show more names
SCHEMBL1490389CHEBI:183298
Database identifiers
- CAS
18498-23-2- PubChem CID
- 205694
- DTXSID
DTXSID60171689- ChEBI
CHEBI:183298
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 19
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 241
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Related reactions
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Compound notes
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