ClassyFire

Compound Identification

SMILES

COC1=C2C[C@](CC1(C)C)(OC)C#C\C=C\C#CC2O

InChIKey

InChIKey=ZDFMSNVIJGOOMH-IGHVHIDKSA-N

Formula

C17H20O3

Mass

272.344

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

Secondary alcohols Dialkyl ethers Hydrocarbon derivatives

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Ynone - Secondary alcohol - Ether - Dialkyl ether - 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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