Methyl 3-butenoate

C₅H₈O₂CAS 3724-55-8100.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₈O₂
Molar mass: 100.12 g/mol
Exact mass: 100.0524 Da
Boiling point: 107 °C (at 742 Torr)
logP: 0.74Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

3724-55-8

SMILES

C=CCC(=O)OC

InChIKey

GITITJADGZYSRL-UHFFFAOYSA-N

InChI

InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3H,1,4H2,2H3

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

Names and synonyms

2 names

3-Butenoic acid, methyl ester
NSC 250983

Work with Methyl 3-butenoate

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 5-hexenoate2396-80-759 % similar Methyl 10-undecenoate111-81-957 % similar Dimethyl succinate106-65-050 % similar Dimethyl malonate108-59-850 % similar Dimethyl glutarate1119-40-048 % similar Methyl 3,3-dimethyl-4-pentenoate63721-05-147 % similar Methyl 2-propen-1-yl carbonate35466-83-247 % similar Methyl (methylthio)acetate16630-66-346 % 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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