Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017988

Phytochemical name: 1-Ethyl-2-heptylcyclopropane

Synonymous chemical names:
1-Ethyl-2-heptylcyclopropane

External chemical identifiers:
CID:CID_524636

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Chemical structure information

SMILES:
CCCCCCCC1CC1CC

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

InChIKey:
FHUVNRUQAXFLJB-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCC3CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC1

Scaffold Graph/Node level:
C1CC1

Scaffold Graph level:
C1CC1

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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: 1.616

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Chemical structure download