Ethyl trans-crotonate
Properties
- Molecular formula
- C6H10O2
- Molar mass
- 114.14 g/mol
- Exact mass
- 114.0681 Da
- Density
- 0.921 g/mL (at 18 °C)
- Boiling point
- 138 °C
- logP
- 1.13Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
- Double bonds
- EE/Z, in SMILES order
Identifiers
CAS number
623-70-1SMILES
C/C=C/C(=O)OCCInChIKey
ZFDIRQKJPRINOQ-HWKANZROSA-NInChI
InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3+Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- 2-Butenoic acid, ethyl ester, (2E)-
- Crotonic acid, ethyl ester, (E)-
- 2-Butenoic acid, ethyl ester, (E)-
- trans-2-Butenoic acid ethyl ester
- Ethyl (E)-crotonate
- (E)-2-Butenoic acid ethyl ester
- Ethyl (E)-2-butenoate
- Ethyl trans-2-butenoate
- (E)-Ethyl but-2-enoate
- trans-Crotonic acid ethyl ester
- Ethyl (2E)-but-2-enoate
Work with Ethyl trans-crotonate
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 maleate141-05-977 % similar
Diethyl fumarate623-91-677 % similar
Ethyl sorbate2396-84-173 % similar
Ethyl 3-ethoxy-2-propenoate1001-26-965 % similar
Ethyl (2E)-3-ethoxy-2-propenoate5941-55-965 % similar
Ethyl (2E)-4-oxo-2-butenoate2960-66-961 % similar
Ethyl (2E)-3-(dimethylamino)-2-propenoate1117-37-959 % similar
Monoethyl fumarate2459-05-459 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds