Compound Identification
SMILES
CCOC(=O)C1C(OC(=O)C1=O)C(CC)CC
InChIKey
InChIKey=ZWKCGNQETJWJBZ-UHFFFAOYSA-N
Formula
C12H18O5
Mass
242.271
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactones
- Subclass Gamma butyrolactones
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Class
Lactones
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactones
Subclass
Gamma butyrolactones
Intermediate Tree Nodes
Not available
Direct Parent
Gamma butyrolactones
Alternative Parents
Furanones Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Tetrahydrofurans Cyclic ketones Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
1,3-dicarbonyl compound - Gamma butyrolactone - 3-furanone - Dicarboxylic acid or derivatives - Tetrahydrofuran - Cyclic ketone - Ketone - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as gamma butyrolactones. These are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.
External Descriptors
Not available