4-(Acetyloxy)-2-methyl-2-butenal

C₇H₁₀O₃CAS 14918-80-0142.15 g/mol

Open in Covalent MOL file

Aldehyde Alkene Ester

Properties

Molecular formula: C₇H₁₀O₃
Molar mass: 142.15 g/mol
Exact mass: 142.0630 Da
Melting point: 50–55 °C
Boiling point: 95–97 °C (at 15 Torr)
logP: 0.69Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Identifiers

CAS number

14918-80-0

SMILES

CC(=O)OCC=C(C)C=O

InChIKey

LPDDKAJRWGPGSI-UHFFFAOYSA-N

InChI

InChI=1S/C7H10O3/c1-6(5-8)3-4-10-7(2)9/h3,5H,4H2,1-2H3

Weigh it out

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

Names and synonyms

9 names

2-Butenal, 4-(acetyloxy)-2-methyl-
Crotonaldehyde, 4-hydroxy-2-methyl-, acetate
1-Acetoxy-3-methyl-2-buten-4-al
3-Formylcrotyl acetate
4-Acetoxy-2-formyl-2-butene
4-Acetoxy-2-methylcrotonaldehyde
4-Acetoxy-2-methyl-2-butenal
3-Methyl-4-oxo-2-butenyl acetate
3-Formylbut-2-enyl acetate

Work with 4-(Acetyloxy)-2-methyl-2-butenal

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

Prenyl acetate1191-16-859 % similar cis-1,4-Diacetoxy-2-butene25260-60-054 % similar Allyl acetate591-87-748 % similar (E)-2-Methyl-2-pentenal14250-96-547 % similar 2-Methyl-2-pentenal623-36-947 % similar Geranyl acetate105-87-346 % similar Neryl acetate141-12-846 % similar 3,7-Dimethyl-2,6-octadienyl acetate16409-44-246 % similar

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

Same formula

Methyl 2-oxocyclopentanecarboxylate10472-24-9 Glycidyl methacrylate106-91-2 Allyl acetoacetate1118-84-9 5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone27538-09-6 Homofuraneol27538-10-9 2,2-Dimethylglutaric anhydride2938-48-9 Methyl β-oxocyclopropanepropanoate32249-35-7 2,5-Dimethyl-4-methoxy-3(2H)-furanone4077-47-8

Elsewhere

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