ClassyFire

Compound Identification

SMILES

OC1C=CC(O)C2(OC12)C#CC1CO1

InChIKey

InChIKey=UIUICYCXZXXMKB-UHFFFAOYSA-N

Formula

C10H10O4

Mass

194.186

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 Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Ynone - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Hydrocarbon derivative - Alcohol - Aliphatic heteropolycyclic 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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