Isobutyraldehyde

C₄H₈OCAS 78-84-272.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₈O
Molar mass: 72.11 g/mol
Exact mass: 72.0575 Da
Density: 0.7938 g/mL (at 20 °C)
Melting point: −65.9 °C
Boiling point: 64 °C
logP: 0.84Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

78-84-2

SMILES

CC(C)C=O

InChIKey

AMIMRNSIRUDHCM-UHFFFAOYSA-N

InChI

InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3

Weigh it out

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Names and synonyms

17 names · show all

Propanal, 2-methyl-
2-Methylpropanal
Isobutanal
Isobutyric aldehyde
2-Methylpropionaldehyde
Isobutyryl aldehyde
Isopropylformaldehyde
iso-Butyraldehyde
α-Methylpropionaldehyde
2-Methyl-1-propanal
Isobutyral
2-Formylpropane
Dimethylacetaldehyde
Isopropylcarboxaldehyde
NSC 6739
2-Propanecarboxaldehyde
Isobutyroaldehyde

Work with Isobutyraldehyde

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Formaldehyde-isobutyraldehyde-urea copolymer28931-47-741 % similar Dichloroacetaldehyde79-02-735 % similar Diisopropylformamide2700-30-335 % similar 2,2-Dimethoxyacetaldehyde51673-84-835 % similar 2-Ethylbutanal97-96-135 % similar (±)-2-Methylpentanal123-15-935 % similar 2-Bromopropanedial2065-75-033 % similar 2,3-Dimethylpentanal32749-94-333 % similar

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

Same formula

1,2-Epoxybutane106-88-7 Ethyl vinyl ether109-92-2 Tetrahydrofuran109-99-9 2-Methoxypropene116-11-0 Butyraldehyde123-72-8 Deuterated thf1693-74-9 cis-2,3-Epoxybutane1758-33-4 trans-2,3-Dimethyloxirane21490-63-1

Elsewhere

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