Compound Identification
SMILES
COC(=O)CCC(C(C)=O)C(C)=O
InChIKey
InChIKey=XFUDNZLAPUHONL-UHFFFAOYSA-N
Formula
C9H14O4
Mass
186.207
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
1,3-dicarbonyl compounds
- Level 6 Beta-diketones
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Level 5
1,3-dicarbonyl compounds
-
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
1,3-dicarbonyl compounds
Direct Parent
Beta-diketones
Alternative Parents
Fatty acid methyl esters Methyl esters Ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
1,3-diketone - Fatty acid methyl ester - Fatty acid ester - Fatty acyl - Methyl ester - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as beta-diketones. These are organic compounds containing two keto groups separated by a single carbon atom.
External Descriptors
Not available