chempirical

Ethyl 3-hexenoate

C8H14O2CAS 2396-83-0142.20 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C8H14O2
Molar mass
142.20 g/mol
Exact mass
142.0994 Da
Boiling point
166.5 °C
logP
1.91Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
2396-83-0
SMILES
CCC=CCC(=O)OCC
InChIKey
VTSFIPHRNAESED-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h5-6H,3-4,7H2,1-2H3

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

Names and synonyms

2 names
  • 3-Hexenoic acid, ethyl ester
  • Hydrosorbic acid, ethyl ester

Work with Ethyl 3-hexenoate

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

Ethyl 4,7,10,13,16,19-docosahexaenoate84494-72-461 % similar Ethyl eicosapentaenoate86227-47-657 % similar Ethyl linolenate1191-41-956 % similar Diethyl malonate105-53-352 % similar Ethyl propionate105-37-350 % similar Diethyl glutarate818-38-250 % similar cis-3-Hexenyl propionate33467-74-247 % similar Ethyl bromoacetate105-36-247 % 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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