Ethyl 4-hydroxycrotonate

C₆H₁₀O₃CAS 10080-68-9130.14 g/mol

Open in Covalent MOL file

Alcohol Alkene Ester

Properties

Molecular formula: C₆H₁₀O₃
Molar mass: 130.14 g/mol
Exact mass: 130.0630 Da
logP: 0.10Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

10080-68-9

SMILES

CCOC(=O)/C=C/CO

InChIKey

MKGMMNMIMLTXHO-ONEGZZNKSA-N

InChI

InChI=1S/C6H10O3/c1-2-9-6(8)4-3-5-7/h3-4,7H,2,5H2,1H3/b4-3+

Weigh it out

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

Names and synonyms

7 names

Ethyl (E)-4-hydroxybut-2-enoate
(E)-4-Hydroxycrotonoic acid ethyl ester
(E)-Ethyl 4-hydroxybut-2-enoate
2-Butenoic acid, 4-hydroxy-, ethyl ester, (2E)-
Ethyl 4-oxybutenoate
Ethyl (2E)-4-hydroxy-2-butenoate
(E)-4-Hydroxy-but-2-enoic acid ethyl ester

Work with Ethyl 4-hydroxycrotonate

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 maleate141-05-965 % similar Diethyl fumarate623-91-665 % similar Ethyl trans-2-hexenoate27829-72-761 % similar Ethyl (E)-4-bromo-2-butenoate37746-78-461 % similar Ethyl trans-crotonate623-70-159 % similar Ethyl 3-ethoxy-2-propenoate1001-26-957 % similar Ethyl (2E)-3-ethoxy-2-propenoate5941-55-957 % similar Monoethyl fumarate2459-05-456 % similar

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

Same formula

Ethyl 2-(hydroxymethyl)-2-propenoate10029-04-6 Ethyl (2S)-2-oxiraneacetate112083-63-3 Propionic anhydride123-62-6 3-(2-Propyn-1-yloxy)-1,2-propanediol13580-38-6 2-Hydroxyadipaldehyde141-31-1 Ethyl acetoacetate141-97-9 (±)-3-Methyl-2-oxovaleric acid1460-34-0 (R)-2,2-Dimethyl-1,3-dioxolane-4-carbaldehyde15186-48-8

Elsewhere

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