Methyl 3-butenoate

C5H8O2CAS 3724-55-8100.12 g/mol

Open in Covalent MOL file
OO
AlkeneEster

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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Danger
Flammable (GHS02)

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

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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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 Methyl pent-3-enoate20515-19-956 % similar tert-Butyl 3-butenoate14036-55-655 % 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

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