Summary

IMPPAT Phytochemical identifier: IMPHY016862

Phytochemical name: 2,5-Dimethoxytetrahydrofuran

Synonymous chemical names:
tetrahydro-2,5-dimethoxy furan

External chemical identifiers:
CID:79098, SureChEMBL:SCHEMBL58448, MolPort-001-779-635

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Chemical structure information

SMILES:
COC1CCC(O1)OC

InChI:
InChI=1S/C6H12O3/c1-7-5-3-4-6(8-2)9-5/h5-6H,3-4H2,1-2H3

InChIKey:
GFISDBXSWQMOND-UHFFFAOYSA-N

DeepSMILES:
COCCCCO5)OC

Functional groups:
COC1CCC(OC)O1

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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-Likeness score: 1.117

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Chemical structure download