Summary

IMPPAT Phytochemical identifier: IMPHY016547

Phytochemical name: Butylcyclobutane

Synonymous chemical names:
butyl cyclobutane,

External chemical identifiers:
CID:544591, ZINC:ZINC000059587059, SureChEMBL:SCHEMBL1193058

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Chemical structure information

SMILES:
CCCCC1CCC1

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

InChIKey:
RFLJRIWHBUSIOM-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC4

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC1

Scaffold Graph/Node level:
C1CCC1

Scaffold Graph level:
C1CCC1

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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: 0.505

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Chemical structure download