Structure Information
Structure

Compound Identification

SMILES

CC1(CC(CC1C=C)C=C)C(=O)OCC(O)CCl

InChIKey

InChIKey=WBWDPHLZTDRCHC-UHFFFAOYSA-N

Formula

C14H21ClO3

Mass

272.77

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aliphatic homomonocyclic compounds

Substituents

3-mcpd monoester - Monocyclic monoterpenoid - Monoterpenoid - Carboxylic acid ester - Chlorohydrin - Halohydrin - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Alkyl chloride - Alcohol - Carbonyl group - Organochloride - Organooxygen compound - Alkyl halide - Hydrocarbon derivative - Aliphatic homomonocyclic 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

Previous Back Next