Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017419

Phytochemical name: Dihydro-4,4-dimethyl-2(3H)-furanone

Synonymous chemical names:
dihydro-4,4-dimethyl-2(3h)-furanone

External chemical identifiers:
CID:CID_26312, ChEBI:CHEBI:88831, ZINC:ZINC000005447707, SureChEMBL:SCHEMBL45972, MolPort-028-948-920

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Chemical structure information

SMILES:
O=C1OCC(C1)(C)C

InChI:
InChI=1S/C6H10O2/c1-6(2)3-5(7)8-4-6/h3-4H2,1-2H3

InChIKey:
LZAKUZBAAQDJCF-UHFFFAOYSA-N

DeepSMILES:
O=COCCC5)C)C

Functional groups:
COC(=O)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCO1

Scaffold Graph/Node level:
OC1CCCO1

Scaffold Graph level:
CC1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Lactones

ClassyFire Subclass: Gamma butyrolactones

NP-Likeness score: 1.984

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Chemical structure download