Summary

IMPPAT Phytochemical identifier: IMPHY016591

Phytochemical name: 1-Methyl-2-propylcyclohexane

Synonymous chemical names:
cyclohexane-1-methyl-2-propyl, cyclohexane-1-methyl-2propyl

External chemical identifiers:
CID:107252, SureChEMBL:SCHEMBL134865

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Chemical structure information

SMILES:
CCCC1CCCCC1C

InChI:
InChI=1S/C10H20/c1-3-6-10-8-5-4-7-9(10)2/h9-10H,3-8H2,1-2H3

InChIKey:
BVYJEKBXVYKYRA-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC6C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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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: 1.095

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Chemical structure download