Summary

IMPPAT Phytochemical identifier: IMPHY017709

Phytochemical name: 2-Methyltetrahydrofuran

Synonymous chemical names:
2-methyltetrahydrofuran

External chemical identifiers:
CID:7301, ChEMBL:CHEMBL1580503, FDASRS:FCD0VD8ALF, SureChEMBL:SCHEMBL18035, MolPort-001-786-550

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Chemical structure information

SMILES:
CC1CCCO1

InChI:
InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3

InChIKey:
JWUJQDFVADABEY-UHFFFAOYSA-N

DeepSMILES:
CCCCCO5

Functional groups:
COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCOC1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Tetrahydrofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids

NP-Likeness score: 0.211

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Chemical structure download