chempirical

2,5-Dimethyl-4-methoxy-3(2H)-furanone

C7H10O3CAS 4077-47-8142.15 g/mol

Open in Covalent MOL file
OOO
AlkeneEtherKetone

Properties

Molecular formula
C7H10O3
Molar mass
142.15 g/mol
Exact mass
142.0630 Da
logP
0.85Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
4077-47-8
SMILES
COC1=C(C)OC(C)C1=O
InChIKey
SIMKGHMLPVDSJE-UHFFFAOYSA-N
InChI
InChI=1S/C7H10O3/c1-4-6(8)7(9-3)5(2)10-4/h4H,1-3H3

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Names and synonyms

7 names
  • 3(2H)-Furanone, 4-methoxy-2,5-dimethyl-
  • 4-Methoxy-2,5-dimethyl-3(2H)-furanone
  • 2,5-Dimethyl-4-methoxy-2H-furan-3-one
  • 4-Methoxy-2,5-dimethyl-2,3-dihydrofuran-3-one
  • Mesifurane
  • 2,5-Dimethyl-4-methoxy-2,3-dihydro-3-furanone
  • Mesifuran

Work with 2,5-Dimethyl-4-methoxy-3(2H)-furanone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Acetoxy-2,5-dimethyl-3(2H)furanone4166-20-567 % similar Furaneol3658-77-355 % similar 4,5-Dihydro-2,5-dimethyl-4-oxo-3-furanyl butanoate114099-96-654 % similar D-Lactide13076-17-034 % similar L-Lactide homopolymer33135-50-134 % similar Lactide4511-42-634 % similar Lactide95-96-534 % similar Acetoin acetate4906-24-532 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 2-oxocyclopentanecarboxylate10472-24-9 Glycidyl methacrylate106-91-2 Allyl acetoacetate1118-84-9 4-(Acetyloxy)-2-methyl-2-butenal14918-80-0 5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone27538-09-6 Homofuraneol27538-10-9 2,2-Dimethylglutaric anhydride2938-48-9 Methyl β-oxocyclopropanepropanoate32249-35-7

Elsewhere

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