Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017603

Phytochemical name: 1-Ethyl-2-methylcyclopentane

Synonymous chemical names:
1-Ethyl-2-methylcyclopentane, 1-ethyl,2-methylcyclopentane

External chemical identifiers:
CID:CID_136729, SureChEMBL:SCHEMBL597926

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Chemical structure information

SMILES:
CCC1CCCC1C

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

InChIKey:
BSKOLJVTLRLTHE-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC5C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCC1

Scaffold Graph/Node level:
C1CCCC1

Scaffold Graph level:
C1CCCC1

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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: 1.194

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Chemical structure download