Summary

IMPPAT Phytochemical identifier: IMPHY015868

Phytochemical name: Propylcyclopentane

Synonymous chemical names:
n-propylcyclopentane

External chemical identifiers:
CID:16270, ZINC:ZINC000001699409, FDASRS:4Q1SP7J9BM, SureChEMBL:SCHEMBL128592

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Chemical structure information

SMILES:
CCCC1CCCC1

InChI:
InChI=1S/C8H16/c1-2-5-8-6-3-4-7-8/h8H,2-7H2,1H3

InChIKey:
KDIAMAVWIJYWHN-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC5

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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: 0.259

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Chemical structure download