Compound Identification
SMILES
COC(=O)C[C@H]1CCC[C@H](OO1)C1=CC=C(C)O1
InChIKey
InChIKey=PMMDPLAYZIAHKN-PWSUYJOCSA-N
Formula
C13H18O5
Mass
254.282
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Dioxepanes
- Subclass 1,2-dioxepanes
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Class
Dioxepanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dioxepanes
Subclass
1,2-dioxepanes
Intermediate Tree Nodes
Not available
Direct Parent
1,2-dioxepanes
Alternative Parents
Methyl esters Heteroaromatic compounds Furans Dialkyl peroxides Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1,2-dioxepane - Heteroaromatic compound - Methyl ester - Furan - Dialkyl peroxide - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1,2-dioxepanes. These are dioxepanes with the two ring oxygen atoms at position 1 and 2, respectively.
External Descriptors
Not available