IMPPAT Phytochemical information: 
1,2-Dimethylcyclohexane

1,2-Dimethylcyclohexane
Summary

IMPPAT Phytochemical identifier: IMPHY016164

Phytochemical name: 1,2-Dimethylcyclohexane

Synonymous chemical names:
1,2-dimethyicyclohexane, 1,2-dimethyl cyclohexane

External chemical identifiers:
CID:11416, FDASRS:5D8M6YR6O1, SureChEMBL:SCHEMBL97107
Chemical structure information

SMILES:
CC1CCCCC1C

InChI:
InChI=1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3

InChIKey:
KVZJLSYJROEPSQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6C


Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1
Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass:
Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

ClassyFire Subclass: Cycloalkanes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.388


Chemical structure download