Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017999

Phytochemical name: 2-Ethyl-5-methyltetrahydrofuran

Synonymous chemical names:
2-Ethyl-5-methyltetrahydrofuran

External chemical identifiers:
CID:CID_523048

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Chemical structure information

SMILES:
CCC1CCC(O1)C

InChI:
InChI=1S/C7H14O/c1-3-7-5-4-6(2)8-7/h6-7H,3-5H2,1-2H3

InChIKey:
UHMJZZUFLYFOBN-UHFFFAOYSA-N

DeepSMILES:
CCCCCCO5)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-Likeness score: 1.068

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Chemical structure download