Basic information
- Standard SMILES
CCCCCCCCCCCCCCCC(I)CC(=O)O- InChIKey
DJFRHANNURBCFM-UHFFFAOYSA-N- Molecular formula
- C18H35IO2
- Average molar mass
- 410.4 g/mol
Overview
3-iodo-octadecanoic acid is a long-chain fatty acid.
Names & identifiers
- Preferred name
- 3-Iodo-octadecanoic acid
- IUPAC
- 3-iodooctadecanoic acid
Names & synonyms
3-iodooctadecanoic acid3-iodo-octadecanoic acid3-Iodostearic acidOctadecanoic acid, 3-iodo-SCHEMBL4222837CHEBI:169251DJFRHANNURBCFM-UHFFFAOYSA-NLMFA01090040Octadecanoic acid, 3-iodo-; 3-Iodostearic acid
Database identifiers
- PubChem CID
- 5312959
- ChEBI
CHEBI:169251
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 231
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Halogenated fatty acids [FA0109]
Related reactions
1 records
Compound notes
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