chempirical

3-Iodooxetane

C3H5IOCAS 26272-85-5183.98 g/mol

Open in Covalent MOL file
IO
Alkyl halideEther

Properties

Molecular formula
C3H5IO
Molar mass
183.98 g/mol
Exact mass
183.9385 Da
logP
0.82Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
26272-85-5
SMILES
IC1COC1
InChIKey
KBEIFKMKVCDETC-UHFFFAOYSA-N
InChI
InChI=1S/C3H5IO/c4-3-1-5-2-3/h3H,1-2H2

Weigh it out

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

Names and synonyms

2 names
  • Oxetane, 3-iodo-
  • Propane, 1,3-epoxy-2-iodo-

Work with 3-Iodooxetane

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-3-iodofuran121138-01-056 % similar Iodocyclopentane1556-18-935 % similar 3,6-Dioxabicyclo[3.1.0]hexane285-69-835 % similar Glycerol triglycidyl ether13236-02-733 % similar 3-Oxetanamine21635-88-133 % similar Diglycidyl ether2238-07-533 % similar Erythritan4358-64-933 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook