Summary

IMPPAT Phytochemical identifier: IMPHY017452

Phytochemical name: (1-Methylbutyl)cyclohexane

Synonymous chemical names:
(1-methylbutyl)-cyclohexane

External chemical identifiers:
CID:543985, SureChEMBL:SCHEMBL135097

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Chemical structure information

SMILES:
CCCC(C1CCCCC1)C

InChI:
InChI=1S/C11H22/c1-3-7-10(2)11-8-5-4-6-9-11/h10-11H,3-9H2,1-2H3

InChIKey:
ZYJFJURMFHCWOB-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCC6))))))C

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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: 0.63

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Chemical structure download