Compound Identification
SMILES
OC(=O)C1CC(I)C2CC1C(=O)O2
InChIKey
InChIKey=KCKXBXSJLWDSNV-UHFFFAOYSA-N
Formula
C8H9IO4
Mass
296.06
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactones
- Subclass Gamma butyrolactones
-
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
Oxepanes Dicarboxylic acids and derivatives Tetrahydrofurans Carboxylic acid esters Oxacyclic compounds Carboxylic acids Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl iodides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Oxepane - Dicarboxylic acid or derivatives - Gamma butyrolactone - Tetrahydrofuran - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Organic oxygen compound - Carbonyl group - Organoiodide - Organooxygen compound - Alkyl iodide - Aliphatic heteropolycyclic 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