Compound Identification
SMILES
CCCC[N+]1(CCCC(=O)CCCCC(=O)OCC(O)CCl)CC(O)C1
InChIKey
InChIKey=HSWYDNUTGNCRGV-UHFFFAOYSA-N
Formula
C19H35ClNO5
Mass
392.94
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acid esters
-
Level 5
Chloropropanol esters
- Level 6 3-MCPD monoesters
-
Level 5
Chloropropanol esters
-
Subclass
Fatty acid esters
-
Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acid esters
Intermediate Tree Nodes
Chloropropanol esters
Direct Parent
3-MCPD monoesters
Alternative Parents
Gamma-amino ketones Tetraalkylammonium salts Secondary alcohols Chlorohydrins Carboxylic acid esters Azetidines 1,2-aminoalcohols Monocarboxylic acids and derivatives Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides Organic cations
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
3-mcpd monoester - Gamma-aminoketone - Tetraalkylammonium salt - Quaternary ammonium salt - 1,2-aminoalcohol - Azetidine - Carboxylic acid ester - Chlorohydrin - Secondary alcohol - Halohydrin - Ketone - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Alcohol - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Alkyl halide - Alkyl chloride - Organic cation - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-mcpd monoesters. These are compounds containing a 3-monochloropropane-1,2-diol skeleton that is esterified either at the C1 or C3 terminal carbon atom only.
External Descriptors
Not available