Ethyl 2-methyl-4-pentenoate

C₈H₁₄O₂CAS 53399-81-8142.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₄O₂
Molar mass: 142.20 g/mol
Exact mass: 142.0994 Da
Boiling point: 153–155 °C
logP: 1.76Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Identifiers

CAS number

53399-81-8

SMILES

C=CCC(C)C(=O)OCC

InChIKey

BDBGKYIBDXAVMX-UHFFFAOYSA-N

InChI

InChI=1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h4,7H,1,5-6H2,2-3H3

Weigh it out

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

Names and synonyms

2 names

4-Pentenoic acid, 2-methyl-, ethyl ester
2-Methyl-4-pentenoic acid ethyl ester

Work with Ethyl 2-methyl-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diethyl allylmalonate2049-80-169 % similar Ethyl 2-methylbutanoate7452-79-159 % similar Manzanate39255-32-856 % similar Ethyl cyclopent-3-enecarboxylate21622-01-550 % similar Ethyl isobutyrate97-62-150 % similar 2-Methyl-4-pentenoic acid1575-74-249 % similar 1,1,1-Triethyl methanetricarboxylate6279-86-348 % similar 1,3-Diethyl 2-(1-methylethyl)propanedioate759-36-447 % similar

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

Same formula

γ-Octalactone104-50-7 1-Methylcyclohexanecarboxylic acid1123-25-7 1-Acetylcyclohexanol1123-27-9 trans-4-Methylcyclohexanecarboxylic acid13064-83-0 tert-Butyl 3-butenoate14036-55-6 Cypionic acid140-77-2 2,5-Dimethyl-3-hexyne-2,5-diol142-30-3 Cycloheptanecarboxylic acid1460-16-8

Elsewhere

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