Summary

IMPPAT Phytochemical identifier: IMPHY017353

Phytochemical name: 3-Methyl-2,5-dihydrofuran

Synonymous chemical names:
furane,2,5-dihydro-3-methyl

External chemical identifiers:
CID:533662, SureChEMBL:SCHEMBL257417

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Chemical structure information

SMILES:
CC1=CCOC1

InChI:
InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2H,3-4H2,1H3

InChIKey:
GSDYNJRRFBBEJS-UHFFFAOYSA-N

DeepSMILES:
CC=CCOC5

Functional groups:
CC=C(C)C, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCOC1

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: Dihydrofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.26

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Chemical structure download