Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID007515

Phytochemical name: Methylcyclopentane

Synonymous chemical names:
methyl-cyclopentane, methylcyclopentane

External chemical identifiers:
CID:CID_7296, ChEMBL:CHEMBL30940, ChEBI:CHEBI:88429, ZINC:ZINC000001615315, FDASRS:5G26CC1ASK, SureChEMBL:SCHEMBL862, MolPort-001-785-798

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Chemical structure information

SMILES:
CC1CCCC1

InChI:
InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3

InChIKey:
GDOPTJXRTPNYNR-UHFFFAOYSA-N

DeepSMILES:
CCCCCC5

Link to spectral information:
MSBNK-Fac_Eng_Univ_Tokyo-JP012175

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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: 0.029

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Chemical structure download