Structure Information
Structure

Compound Identification

SMILES

C=C1CC(CC2=CC=CC=C2)COC1=O

InChIKey

InChIKey=XBUOKKOORXPZLR-UHFFFAOYSA-N

Formula

C13H14O2

Mass

202.253

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Lactones

Subclass

Delta valerolactones

Intermediate Tree Nodes

Not available

Direct Parent

Delta valerolactones

Alternative Parents

Oxanes Benzene and substituted derivatives Enoate esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Delta valerolactone - Delta_valerolactone - Monocyclic benzene moiety - Oxane - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety.

External Descriptors

Not available

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