chempirical

Homofuraneol

C7H10O3CAS 27538-10-9142.15 g/mol

Open in Covalent MOL file
OOHO
AlkeneEtherKetone

Properties

Molecular formula
C7H10O3
Molar mass
142.15 g/mol
Exact mass
142.0630 Da
Boiling point
103 °C (at 15 Torr)
logP
1.15Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
27538-10-9
SMILES
CCC1OC(C)=C(O)C1=O
InChIKey
GWCRPYGYVRXVLI-UHFFFAOYSA-N
InChI
InChI=1S/C7H10O3/c1-3-5-7(9)6(8)4(2)10-5/h5,8H,3H2,1-2H3

Weigh it out

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Names and synonyms

9 names
  • 3(2H)-Furanone, 2-ethyl-4-hydroxy-5-methyl-
  • 2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone
  • 4-Hydroxy-2-ethyl-5-methyl-2,3-dihydrofuran-3-one
  • 2-Methyl-5-ethyl-4,5-dihydrofuran-3-ol-4-one
  • 4-Hydroxy-5-methyl-2-ethyl-2,3-dihydrofuran-3-one
  • 4-Hydroxy-2-ethyl-5-methyl-3(2H)-furanone
  • 2-Methyl-3-hydroxy-5-ethylfuran-4-one
  • HEMF
  • 2-Ethyl-4-hydroxy-5-methylfuran-3-one

Work with Homofuraneol

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

Furaneol3658-77-355 % similar 5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone698-10-250 % similar 4-Hydroxy-5-methyl-3(2H)-furanone19322-27-136 % similar (±)-3-Methyl-2-oxovaleric acid1460-34-035 % similar 2-Phenoxybutanoic acid13794-14-433 % similar sec-Butyl acetate105-46-432 % similar Ethylmalonic acid601-75-232 % similar 2-Ethylbutanoic acid88-09-532 % 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 2,2-Dimethylglutaric anhydride2938-48-9 Methyl β-oxocyclopropanepropanoate32249-35-7 2,5-Dimethyl-4-methoxy-3(2H)-furanone4077-47-8

Elsewhere

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