ClassyFire

Compound Identification

SMILES

CCC(=C)C(=O)C(=C)CC

InChIKey

InChIKey=XZRPCNZFAJWRPP-UHFFFAOYSA-N

Formula

C9H14O

Mass

138.21

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level 5 Alpha,beta-unsaturated carbonyl compounds
        
        Level 6 Alpha,beta-unsaturated ketones
        
        Level 7 Alpha-branched alpha,beta-unsaturated ketones

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones

Direct Parent

Alpha-branched alpha,beta-unsaturated ketones

Alternative Parents

Enones Acryloyl compounds Ketones Organic oxides Hydrocarbon derivatives

Molecular Framework

Aliphatic acyclic compounds

Substituents

Alpha-branched alpha,beta-unsaturated-ketone - Enone - Acryloyl-group - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound

Description

This compound belongs to the class of organic compounds known as alpha-branched alpha,beta-unsaturated ketones. These are alpha,beta-unsaturated ketones that carry a branch on the alpha carbon. They have the generic structure RC(=O)C(R')=C, R = organyl group and R'= any heteroatom.

External Descriptors

Not available

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