Summary

IMPPAT Phytochemical identifier: IMPHY017132

Phytochemical name: Ethylcyclopentane

Synonymous chemical names:
ethylcyclopentane

External chemical identifiers:
CID:15431, ZINC:ZINC000001699534, FDASRS:Q7W1V2C3DJ, SureChEMBL:SCHEMBL9954

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Chemical structure information

SMILES:
CCC1CCCC1

InChI:
InChI=1S/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3

InChIKey:
IFTRQJLVEBNKJK-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC5

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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: 0.15

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Chemical structure download