Ethyl 4-pentenoate

C₇H₁₂O₂CAS 1968-40-7128.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₂O₂
Molar mass: 128.17 g/mol
Exact mass: 128.0837 Da
Density: 0.9234 g/mL (at 40 °C)
Boiling point: 130 °C (at 12 Torr)
logP: 1.52Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Identifiers

CAS number

1968-40-7

SMILES

C=CCCC(=O)OCC

InChIKey

PTVSRINJXWDIKP-UHFFFAOYSA-N

InChI

InChI=1S/C7H12O2/c1-3-5-6-7(8)9-4-2/h3H,1,4-6H2,2H3

Weigh it out

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

Names and synonyms

2 names

4-Pentenoic acid, ethyl ester
4-Ethoxycarbonylbut-1-ene

Work with Ethyl 4-pentenoate

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

Ethyl 10-undecenoate692-86-477 % similar Diethyl glutarate818-38-259 % similar Ethyl (E)-4-decenoate76649-16-656 % similar Ethyl butyrate105-54-455 % similar Diethyl sebacate110-40-755 % similar Diethyl pimelate2050-20-655 % similar Diethyl suberate2050-23-955 % similar Diethyl azelate624-17-955 % similar

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

Same formula

3,3-Diethoxy-1-propyne10160-87-9 2-Ethoxy-3,4-dihydro-2H-pyran103-75-3 γ-Heptalactone105-21-5 Isobutyl acrylate106-63-8 6-Heptenoic acid1119-60-4 Cyclopentaneacetic acid1123-00-8 Prenyl acetate1191-16-8 2,2-Dimethyltetrahydropyran-4-one1194-16-7

Elsewhere

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