5-Methyl-hexadecanoic acid
Basic information
- CAS
7212-46-6- Standard SMILES
CCCCCCCCCCCC(C)CCCC(=O)O- InChIKey
KISKSKWZPNLKCF-UHFFFAOYSA-N- Molecular formula
- C17H34O2
- Average molar mass
- 270.5 g/mol
- Monoisotopic mass
- 270.25588032
Overview
5-methyl-hexadecanoic acid is a long-chain fatty acid.
Names & identifiers
- Preferred name
- 5-Methyl-hexadecanoic acid
- IUPAC
- 5-methylhexadecanoic acid
Names & synonyms
5-methylhexadecanoic acid5-methyl-hexadecanoic acid7212-46-6LMFA010201995-Methyl-hexadecansaureSCHEMBL15271019DTXSID60415550CHEBI:179979
Database identifiers
- CAS
7212-46-6- PubChem CID
- 5312296
- DTXSID
DTXSID60415550- ChEBI
CHEBI:179979- Nikkaji
- J387.526A
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 201
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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