Compound Identification
SMILES
CC1=CC=C2OC(C)(O1)C(=O)CCC2(C)C
InChIKey
InChIKey=ZYBHCGAHPGDGLE-UHFFFAOYSA-N
Formula
C13H18O3
Mass
222.284
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Dioxepines
- Subclass 1,3-dioxepines
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Class
Dioxepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dioxepines
Subclass
1,3-dioxepines
Intermediate Tree Nodes
Not available
Direct Parent
1,3-dioxepines
Alternative Parents
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Ketal - Oxepane - 1,3-dioxepine - Ketone - Oxacycle - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3-dioxepines. These are dioxepines with the two ring oxygen atoms at position 1 and 3, respectively.
External Descriptors
Not available