3-Methyloxetane-3-carbaldehyde

C₅H₈O₂CAS 99419-31-5100.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₈O₂
Molar mass: 100.12 g/mol
Exact mass: 100.0524 Da
logP: 0.22Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers
H411 Toxic to aquatic life with long lasting effects97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

Identifiers

CAS number

99419-31-5

SMILES

CC1(COC1)C=O

InChIKey

DUQGFIKXKISULR-UHFFFAOYSA-N

InChI

InChI=1S/C5H8O2/c1-5(2-6)3-7-4-5/h2H,3-4H2,1H3

Weigh it out

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

Names and synonyms

1 names

3-Oxetanecarboxaldehyde, 3-methyl-

Work with 3-Methyloxetane-3-carbaldehyde

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

Pivaldehyde630-19-336 % similar 1-Boc-4-formyl-4-methyl-piperidine189442-92-036 % similar Hydroxypivaldehyde597-31-933 % similar 2,2-Dimethyl-4-pentenal5497-67-631 % similar 3-Methyl-3-oxetanemethanol3143-02-031 % similar 3-Methyl-3-oxetanecarboxylic Acid28562-68-730 % similar

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

Same formula

Vinyl propionate105-38-4 Isopropenyl acetate108-22-5 Gamma-valerolactone108-29-2 Glutaraldehyde111-30-8 Acetylacetone123-54-6 trans-2-Pentenoic acid13991-37-2 Ethyl acrylate140-88-5 3-(Hydroxymethyl)cyclobutan-1-one183616-18-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook