chempirical

(E)-Ethyl 4,4-dimethoxybut-2-enoate

C8H14O4CAS 114736-25-3174.20 g/mol

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AcetalAlkeneEsterEther

Properties

Molecular formula
C8H14O4
Molar mass
174.20 g/mol
Exact mass
174.0892 Da
logP
0.72Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
5
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
114736-25-3
SMILES
CCOC(=O)/C=C/C(OC)OC
InChIKey
SIRJFJKWVNTUKV-AATRIKPKSA-N
InChI
InChI=1S/C8H14O4/c1-4-12-7(9)5-6-8(10-2)11-3/h5-6,8H,4H2,1-3H3/b6-5+

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Names and synonyms

1 names
  • 2-Butenoic acid, 4,4-

Work with (E)-Ethyl 4,4-dimethoxybut-2-enoate

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

Diethyl maleate141-05-961 % similar Diethyl fumarate623-91-661 % similar Ethyl trans-crotonate623-70-155 % similar Ethyl 3-ethoxy-2-propenoate1001-26-953 % similar Ethyl (2E)-3-ethoxy-2-propenoate5941-55-953 % similar Ethyl sorbate2396-84-150 % similar Ethyl (2E)-4-oxo-2-butenoate2960-66-950 % similar Ethyl 3-(4-methylphenyl)-2-propenoate20511-20-049 % similar

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

Same formula

2,3-Diacetoxybutane1114-92-7 1,3-Butylene glycol diacetate1117-31-3 Diethyl succinate123-25-1 1,4-Bis(2-hydroxyethoxy)-2-butyne1606-85-5 Glycol diglycidyl ether2224-15-9 1-(1,1-Dimethylethyl) 3-methyl propanedioate42726-73-8 Suberic acid505-48-6 Dimethyl isosorbide5306-85-4

Elsewhere

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