Summary

IMPPAT Phytochemical identifier: IMPHY016322

Phytochemical name: 2,5-Diethyltetrahydrofuran

Synonymous chemical names:
2,5-diethyltetrahydrofuran

External chemical identifiers:
CID:62913, FDASRS:4L4S1F79CT, SureChEMBL:SCHEMBL872855

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Chemical structure information

SMILES:
CCC1CCC(O1)CC

InChI:
InChI=1S/C8H16O/c1-3-7-5-6-8(4-2)9-7/h7-8H,3-6H2,1-2H3

InChIKey:
YKWLEIXVUHRKEF-UHFFFAOYSA-N

DeepSMILES:
CCCCCCO5)CC

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-Likeness score: 0.68

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Chemical structure download