ClassyFire

Compound Identification

SMILES

OC1C2CC3CC(C2)CC1(C3)C#CC1(O)C2CC3CC(C2)CC1C3

InChIKey

InChIKey=TVZBFHNRMALGDJ-UHFFFAOYSA-N

Formula

C22H30O2

Mass

326.48

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 Ynones

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

Ynones

Alternative Parents

Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Ynone - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Hydrocarbon derivative - Alcohol - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as ynones. These are organic compounds containing the ynone functional group, an alpha,beta unsaturated ketone group with the general structure RC#C-C(=O)R' (R' not H).

External Descriptors

Not available

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