Compound Identification
SMILES
CC1(C)[C@@H](Br)CC[C@@]2(C)C1CC[C@@]1(C)O[C@H](CCl)[C@](C)(O)CCC21
InChIKey
InChIKey=ZHHBAIGVXXOKRJ-JOOJCWMZSA-N
Formula
C20H34BrClO2
Mass
421.84
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Oxepanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Oxepanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Oxepanes
Alternative Parents
Tertiary alcohols Oxacyclic compounds Dialkyl ethers Organochlorides Organobromides Hydrocarbon derivatives Alkyl chlorides Alkyl bromides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Oxepane - Tertiary alcohol - Dialkyl ether - Ether - Oxacycle - Alcohol - Organooxygen compound - Organochloride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Alkyl halide - Alkyl chloride - Alkyl bromide - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as oxepanes. These are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.
External Descriptors
Not available