Summary

IMPPAT Phytochemical identifier: IMPHY017133

Phytochemical name: Propylcyclohexane

Synonymous chemical names:
propyl cyclohexane, propylcyclohexane

External chemical identifiers:
CID:15505, ZINC:ZINC000001677093, FDASRS:T6QU2W806V, SureChEMBL:SCHEMBL128915, MolPort-003-925-928

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Chemical structure information

SMILES:
CCCC1CCCCC1

InChI:
InChI=1S/C9H18/c1-2-6-9-7-4-3-5-8-9/h9H,2-8H2,1H3

InChIKey:
DEDZSLCZHWTGOR-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC6

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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: 0.192

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Chemical structure download