chempirical

3-Oxotetrahydrofuran

C4H6O2CAS 22929-52-886.09 g/mol

Open in Covalent MOL file
OO
EtherKetone

Properties

Molecular formula
C4H6O2
Molar mass
86.09 g/mol
Exact mass
86.0368 Da
Density
1.1124 g/mL (at 420 °C)
Boiling point
92–94 °C (at 15 Torr)
logP
-0.02Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
22929-52-8
SMILES
O=C1CCOC1
InChIKey
JLPJFSCQKHRSQR-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names
  • 3(2H)-Furanone, dihydro-
  • Dihydro-3(2H)-furanone
  • Oxolan-3-one
  • Dihydrofuran-3-one
  • 4,5-Dihydro-3(2H)-furanone
  • Dihydrofuran-3(2H)-one

Work with 3-Oxotetrahydrofuran

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

Tetrahydro-4H-pyran-4-one29943-42-867 % similar 3-Oxetanone6704-31-056 % similar 2,2′-[1,2-Ethanediylbis(oxy)]bis[acetic acid]23243-68-738 % similar P-Dioxanone3041-16-538 % similar Polyethylene glycol bis(carboxymethyl) ether39927-08-738 % similar 3,6,9-Trioxaundecanedioic acid13887-98-436 % similar 2-Methyl-tetrahydropyran-4-one1193-20-036 % similar 2,2-Dimethyltetrahydropyran-4-one1194-16-736 % similar

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

Same formula

Crotonic acid107-93-7 Vinyl acetate108-05-4 1,4-Butynediol110-65-6 Diepoxybutane1464-53-5 Cyclopropanecarboxylic acid1759-53-1 Allyl formate1838-59-1 3,6-Dioxabicyclo[3.1.0]hexane285-69-8 Rel-(2R,2′R)-2,2′-bioxirane298-18-0

Elsewhere

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