Structure Information
Structure

Compound Identification

SMILES

COC(=O)\C=C(\C1CCC(C)(Cl)C(Br)C1)C(C)=O

InChIKey

InChIKey=QTMNXLZAJOBDAZ-JXMROGBWSA-N

Formula

C13H18BrClO3

Mass

337.64

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Monoterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Menthane monoterpenoids

Alternative Parents

Molecular Framework

Aliphatic homomonocyclic compounds

Substituents

P-menthane monoterpenoid - Monocyclic monoterpenoid - Cyclohexyl halide - Fatty acid ester - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Alkyl bromide - Organobromide - Organochloride - Aliphatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.

External Descriptors

Not available

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