IMPPAT Phytochemical information: 
Butylcyclohexane

Butylcyclohexane
Summary

IMPPAT Phytochemical identifier: IMPHY017134

Phytochemical name: Butylcyclohexane

Synonymous chemical names:
n-butylcyclohexane

External chemical identifiers:
CID:15506, ChEMBL:CHEMBL192820, ZINC:ZINC000001586760, SureChEMBL:SCHEMBL72010
Chemical structure information

SMILES:
CCCCC1CCCCC1

InChI:
InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3

InChIKey:
GGBJHURWWWLEQH-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCC6


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: 0.315


Chemical structure download