Structure Information
Structure

Compound Identification

SMILES

CC1(C)O[C@@H]2C[C@H]3COC(=O)C[C@H]3C[C@@H]2O1

InChIKey

InChIKey=BAFVXYRZZOOUDW-XFWSIPNHSA-N

Formula

C12H18O4

Mass

226.272

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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

Ketals Oxanes 1,3-dioxolanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Ketal - Delta valerolactone - Delta_valerolactone - Oxane - Meta-dioxolane - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Aliphatic heteropolycyclic 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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