Summary

IMPPAT Phytochemical identifier: IMPHY016590

Phytochemical name: 1-Ethyl-4-methylcyclohexane

Synonymous chemical names:
cyclohexane-1-ethyl-4-methyl (cis or trans)

External chemical identifiers:
CID:19503, ZINC:ZINC000002038467, SureChEMBL:SCHEMBL304876

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Chemical structure information

SMILES:
CCC1CCC(CC1)C

InChI:
InChI=1S/C9H18/c1-3-9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3

InChIKey:
CYISMTMRBPPERU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC6))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: 0.156

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Chemical structure download