Summary

IMPPAT Phytochemical identifier: IMPHY015180

Phytochemical name: Cyclopentane, 1-ethyl-3-methyl-

Synonymous chemical names:
1-ethyl-3-methylcyclopentane, 1-methyl-3-ethylcyclopentane

External chemical identifiers:
CID:19502, SureChEMBL:SCHEMBL597210

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Chemical structure information

SMILES:
CCC1CCC(C1)C

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

InChIKey:
PQXAPVOKLYINEI-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC5)C

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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: 0.628

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Chemical structure download