Summary

IMPPAT Phytochemical identifier: IMPHY012141

Phytochemical name: 2,5-Dimethyltetrahydrofuran

Synonymous chemical names:
2, 5-dimethyl tetrahydrofuran, 2,5dimethyltetrahydrofuran

External chemical identifiers:
CID:13855, SureChEMBL:SCHEMBL27888, MolPort-003-940-989

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Chemical structure information

SMILES:
CC1CCC(O1)C

InChI:
InChI=1S/C6H12O/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3

InChIKey:
OXMIDRBAFOEOQT-UHFFFAOYSA-N

DeepSMILES:
CCCCCO5)C

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: Polyketides

NP-Likeness score: 0.548

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Chemical structure download