4-Methoxy-3-buten-2-one

C₅H₈O₂CAS 4652-27-1100.12 g/mol

Open in Covalent MOL file

Alkene Ether Ketone

Properties

Molecular formula: C₅H₈O₂
Molar mass: 100.12 g/mol
Exact mass: 100.0524 Da
Density: 0.9973 g/mL (at 20 °C)
Boiling point: 54–56 °C (at 10 Torr)
logP: 0.74Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

4652-27-1

SMILES

COC=CC(C)=O

InChIKey

VLLHEPHWWIDUSS-UHFFFAOYSA-N

InChI

InChI=1S/C5H8O2/c1-5(6)3-4-7-2/h3-4H,1-2H3

Weigh it out

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

Names and synonyms

3 names

3-Buten-2-one, 4-methoxy-
1-Methoxy-1-buten-3-one
NSC 66263

Work with 4-Methoxy-3-buten-2-one

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

Methyl trans-β-methoxyacrylate5788-17-050 % similar 3-Penten-2-one625-33-248 % similar 6-Methylhepta-3,5-dien-2-one1604-28-041 % similar 5-Methyl-3-hexen-2-one5166-53-041 % similar 3-Hepten-2-one1119-44-438 % similar Methylglyoxal78-98-838 % similar Methyl vinyl ketone78-94-436 % similar 4-Phenyl-3-buten-2-one122-57-635 % 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 Methyl cyclopropanecarboxylate2868-37-3

Elsewhere

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