1,4-Dipropyl (2Z)-2-butenedioate

C₁₀H₁₆O₄CAS 2432-63-5200.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₆O₄
Molar mass: 200.23 g/mol
Exact mass: 200.1049 Da
Density: 1.0271 g/mL (at 16 °C)
Boiling point: 71 °C (at 0.25 Torr)
logP: 1.45Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 6

Hazards

H411 Toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

2432-63-5

SMILES

CCCOC(=O)/C=CC(=O)OCCC

InChIKey

DSTWFRCNXMNXTR-WAYWQWQTSA-N

InChI

InChI=1S/C10H16O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-

Weigh it out

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

Names and synonyms

6 names

2-Butenedioic acid (2Z)-, 1,4-dipropyl ester
Maleic acid, dipropyl ester
2-Butenedioic acid (Z)-, dipropyl ester
2-Butenedioic acid (2Z)-, dipropyl ester
Dipropyl maleate
Di-n-propyl maleate

Work with 1,4-Dipropyl (2Z)-2-butenedioate

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

Dibutyl fumarate105-75-975 % similar Dibutyl maleate105-76-075 % similar Dihexyl maleate16064-83-869 % similar Di-n-octyl maleate2915-53-969 % similar Propyl cinnamate7778-83-859 % similar Diethyl maleate141-05-958 % similar Diethyl fumarate623-91-658 % similar Monobutyl maleate925-21-358 % similar

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

Same formula

4-(2-Oxiranylmethoxy)butyl 2-propenoate119692-59-0 d-Camphoric acid124-83-4 3,3,6,6-Tetramethoxycyclohexa-1,4-diene15791-03-4 1,4-Cyclohexanedione bis(ethylene ketal)183-97-1 Diethyl allylmalonate2049-80-1 Ethyl 4-acetyl-5-oxohexanoate2832-10-2 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-2 Diethyl 1,1-cyclobutanedicarboxylate3779-29-1

Elsewhere

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