chempirical

Ethyl trans-2-hexenoate

C8H14O2CAS 27829-72-7142.20 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
61 °C (at 17 Torr)
logP
1.91Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
27829-72-7
SMILES
CCC/C=C/C(=O)OCC
InChIKey
SJRXWMQZUAOMRJ-VOTSOKGWSA-N
InChI
InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h6-7H,3-5H2,1-2H3/b7-6+

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

Names and synonyms

5 names
  • 2-Hexenoic acid, ethyl ester, (2E)-
  • 2-Hexenoic acid, ethyl ester, (E)-
  • (E)-Ethyl 2-hexenoate
  • Ethyl (E)-2-hexenoate
  • Ethyl (2E)-hex-2-enoate

Work with Ethyl trans-2-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl (E)-2-octenoate7367-82-077 % similar Ethyl trans-2-decenoate7367-88-674 % similar Diethyl maleate141-05-965 % similar Diethyl fumarate623-91-665 % similar Methyl 2-hexenoate2396-77-263 % similar Ethyl (E)-4-bromo-2-butenoate37746-78-461 % similar Ethyl trans-crotonate623-70-159 % similar Ethyl 3-ethoxy-2-propenoate1001-26-957 % 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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