Compound Identification
SMILES
COC1=C(Br)C(=O)[C@@]2(C)[C@@H]3C[C@@H](C=C3)[C@H]2C1=O
InChIKey
InChIKey=IPLREKWVSHYOQQ-SMWKGLLFSA-N
Formula
C13H13BrO3
Mass
297.148
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
Vinylogous halides Vinylogous esters Alpha-haloketones Vinyl bromides Bromoalkenes Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cyclohexenone - Alpha-haloketone - Vinylogous ester - Vinylogous halide - Bromoalkene - Haloalkene - Vinyl halide - Vinyl bromide - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - 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