Compound Identification
SMILES
CCC1(CC)C(OC(=O)C(C)(C)C1=O)C#CC1=CC=CC=C1
InChIKey
InChIKey=ACYJHSKFIFZBFZ-UHFFFAOYSA-N
Formula
C19H22O3
Mass
298.382
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactones
- Subclass Delta valerolactones
-
Class
Lactones
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactones
Subclass
Delta valerolactones
Intermediate Tree Nodes
Not available
Direct Parent
Delta valerolactones
Alternative Parents
Oxanes Benzene and substituted derivatives Cyclic ketones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Delta valerolactone - Delta_valerolactone - Monocyclic benzene moiety - Benzenoid - Oxane - Carboxylic acid ester - Ketone - Cyclic ketone - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Aldehyde - Carbonyl group - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety.
External Descriptors
Not available