12-Octadecynoic acid
Basic information
- CAS
19220-41-8- Standard SMILES
CCCCCC#CCCCCCCCCCCC(=O)O- InChIKey
UTJWKGZXCAQRPW-UHFFFAOYSA-N- Molecular formula
- C18H32O2
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.24023026
Overview
12-octadecynoic acid is a long-chain fatty acid.
Names & identifiers
- Preferred name
- 12-Octadecynoic acid
- IUPAC
- octadec-12-ynoic acid
Names & synonyms
12-Octadecynoic acid12-Stearolic acid19220-41-8DTXSID90391939RefChem:78281DTXCID90342800octadec-12-ynoic acidSCHEMBL3617666CHEBI:193366LMFA0103057012-Octadecynoic acid; 12-Stearolic acid
Database identifiers
- CAS
19220-41-8- PubChem CID
- 3378048
- DTXSID
DTXSID90391939- ChEBI
CHEBI:193366
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 282
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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