Summary

IMPPAT Phytochemical identifier: IMPHY015189

Phytochemical name: 1-Hexyl-3-methylcyclopentane

Synonymous chemical names:
1-hexyl-3-methylcyclopentane

External chemical identifiers:
CID:544055, SureChEMBL:SCHEMBL10774182

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Chemical structure information

SMILES:
CCCCCCC1CCC(C1)C

InChI:
InChI=1S/C12H24/c1-3-4-5-6-7-12-9-8-11(2)10-12/h11-12H,3-10H2,1-2H3

InChIKey:
HWRYHSGAVPPRHI-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCC5)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: 0.984

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Chemical structure download