Compound Identification
SMILES
OCC1(O)C(O)C=CC1=O
InChIKey
InChIKey=NCKMZWFKQTWDTD-UHFFFAOYSA-N
Formula
C6H8O4
Mass
144.126
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
- Level 5 Acyloins
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Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Not available
Direct Parent
Acyloins
Alternative Parents
Tertiary alcohols Secondary alcohols Cyclic ketones Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Acyloin - Tertiary alcohol - Cyclic ketone - Secondary alcohol - Ketone - Organic oxide - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as acyloins. These are organic compounds containing an alpha hydroxy ketone. Acyloins are formally derived from reductive coupling of carboxylic acyl groups.
External Descriptors
Not available