Monobutyl maleate

C₈H₁₂O₄CAS 925-21-3172.18 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Ester

Properties

Molecular formula: C₈H₁₂O₄
Molar mass: 172.18 g/mol
Exact mass: 172.0736 Da
Density: 1.11 g/mL
logP: 0.97Crippen estimate
Polar surface area: 63.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 5

Identifiers

CAS number

925-21-3

SMILES

CCCCOC(=O)/C=CC(=O)O

InChIKey

UTOVMEACOLCUCK-PLNGDYQASA-N

InChI

InChI=1S/C8H12O4/c1-2-3-6-12-8(11)5-4-7(9)10/h4-5H,2-3,6H2,1H3,(H,9,10)/b5-4-

Weigh it out

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

Names and synonyms

8 names

2-Butenedioic acid (2Z)-, 1-butyl ester
Maleic acid, butyl ester
2-Butenedioic acid (2Z)-, monobutyl ester
Hydrogen butyl maleate
Butyl hydrogen maleate
Maleic acid monombutyl ester
Maleic acid, monobutyl ester
2-Butenedioic acid (Z)-, monobutyl ester

Work with Monobutyl maleate

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

Monooctyl maleate2370-71-088 % similar Dibutyl fumarate105-75-976 % similar Dibutyl maleate105-76-076 % similar Di-N-octyl maleate2915-53-966 % similar Monoethyl fumarate2459-05-464 % similar 2-Ethylhexyl maleate7423-42-963 % similar Butyl (2E,4E)-2,4-hexadienoate7367-78-458 % similar 1,4-Dipropyl (2Z)-2-butenedioate2432-63-558 % similar

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

Same formula

1,4-Cyclohexanedicarboxylic acid1076-97-7 Ethyl 2,4-dioxohexanoate13246-52-1 Diethyl maleate141-05-9 1,2-Cyclohexanedicarboxylic acid1687-30-5 (±)-trans-1,2-Cyclohexanedicarboxylic acid2305-32-0 cis-1,4-Diacetoxy-2-butene25260-60-0 (3Ar,4S,5R,6as)-hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[B]furan-2-one32233-40-2 1,3-Cyclohexanedicarboxylic acid3971-31-1

Elsewhere

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