Compound Identification
SMILES
COC1=CC(=O)C2[C@H](C)[C@@H](C)C2C1=O
InChIKey
InChIKey=QIYQQCLXMLGGRN-ZATFNUDQSA-N
Formula
C11H14O3
Mass
194.23
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
- Level 7 Cyclohexenones
-
Level 6
Cyclic ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Cyclic ketones
Direct Parent
Cyclohexenones
Alternative Parents
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cyclohexenone - Vinylogous ester - Organic oxide - Hydrocarbon derivative - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.
External Descriptors
Not available