Compound Identification
SMILES
CCCCOC1CC2C(Br)=CC1(CO)C(=O)C21CO1
InChIKey
InChIKey=FTHQVPMQFZIPJT-UHFFFAOYSA-N
Formula
C14H19BrO4
Mass
331.206
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
Vinyl bromides Oxacyclic compounds Epoxides Dialkyl ethers Bromoalkenes Primary alcohols Organobromides Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cyclohexenone - Dialkyl ether - Oxirane - Ether - Vinyl bromide - Vinyl halide - Organoheterocyclic compound - Haloalkene - Bromoalkene - Oxacycle - Alcohol - Aldehyde - Organohalogen compound - Organobromide - Primary alcohol - Hydrocarbon derivative - Organic oxide - Aliphatic heteropolycyclic 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