Compound Identification
SMILES
NC(=O)OC(CCl)COC1(CCCCC1)C#C
InChIKey
InChIKey=YKJIYFHEFBYUIE-UHFFFAOYSA-N
Formula
C12H18ClNO3
Mass
259.73
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Alpha,beta-unsaturated carbonyl compounds
-
Level 6
Alpha,beta-unsaturated ketones
- Level 7 Ynones
-
Level 6
Alpha,beta-unsaturated ketones
-
Level 5
Alpha,beta-unsaturated carbonyl compounds
-
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
Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones
Direct Parent
Ynones
Alternative Parents
Carbamate esters Organic carbonic acids and derivatives Dialkyl ethers Acetylides Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Ynone - Carbamic acid ester - Carbonic acid derivative - Dialkyl ether - Ether - Acetylide - Alkyl chloride - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Alkyl halide - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as ynones. These are organic compounds containing the ynone functional group, an alpha,beta unsaturated ketone group with the general structure RC#C-C(=O)R' (R' not H).
External Descriptors
Not available