Compound Identification
SMILES
CO[C@H]1O[C@]2(C)CC[C@]3(CCCC[C@]13OO2)C#N
InChIKey
InChIKey=FDPOFQRCKHTNDZ-RVMXOQNASA-N
Formula
C13H19NO4
Mass
253.298
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Oxepanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Oxepanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Oxepanes
Alternative Parents
Trioxanes Dialkyl peroxides Oxacyclic compounds Nitriles Acetals Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Oxepane - 1,2,4-trioxane - Dialkyl peroxide - Oxacycle - Nitrile - Carbonitrile - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Cyanide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as oxepanes. These are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.
External Descriptors
Not available