Compound Identification
SMILES
C[C@@H](I)[C@H]1COCCC(=O)O1
InChIKey
InChIKey=XVQQBFGMKZJQDB-PHDIDXHHSA-N
Formula
C7H11IO3
Mass
270.066
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Dioxepanes
- Subclass 1,4-dioxepanes
-
Class
Dioxepanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dioxepanes
Subclass
1,4-dioxepanes
Intermediate Tree Nodes
Not available
Direct Parent
1,4-dioxepanes
Alternative Parents
Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl iodides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
1,4-dioxepane - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organoiodide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Alkyl iodide - Alkyl halide - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-dioxepanes. These are dioxepanes with the two ring oxygen atoms at position 1 and 4, respectively.
External Descriptors
Not available