Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018175

Phytochemical name: Cyclopropane, octyl-

Synonymous chemical names:
Cyclopropane, octyl-

External chemical identifiers:
CID:CID_524687

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Chemical structure information

SMILES:
CCCCCCCCC1CC1

InChI:
InChI=1S/C11H22/c1-2-3-4-5-6-7-8-11-9-10-11/h11H,2-10H2,1H3

InChIKey:
VFWTZFZJUAJMJB-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCC3

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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: 0.592

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Chemical structure download