Basic information
- CAS
19220-36-1- Standard SMILES
CCCCCCCCCC#CCCCCCCC(=O)O- InChIKey
UMMVRDLPKAVUII-UHFFFAOYSA-N- Molecular formula
- C18H32O2
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.24023026
Overview
8-octadecynoic acid is a long-chain fatty acid.
Names & identifiers
- Preferred name
- 8-Octadecynoic acid
- IUPAC
- octadec-8-ynoic acid
Names & synonyms
8-Octadecynoic acid19220-36-1DTXSID30415562RefChem:107314DTXCID00366411octadec-8-ynoic acidSCHEMBL3628088CHEBI:196515LMFA01030454
Database identifiers
- CAS
19220-36-1- PubChem CID
- 5312596
- DTXSID
DTXSID30415562- ChEBI
CHEBI:196515
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
Loading…