3,3-Dimethylbutanal

C₆H₁₂OCAS 2987-16-8100.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₂O
Molar mass: 100.16 g/mol
Exact mass: 100.0888 Da
Density: 0.8184 g/mL (at 25 °C)
Boiling point: 98.5–99.5 °C
logP: 1.62Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

2987-16-8

SMILES

CC(C)(C)CC=O

InChIKey

LTNUSYNQZJZUSY-UHFFFAOYSA-N

InChI

InChI=1S/C6H12O/c1-6(2,3)4-5-7/h5H,4H2,1-3H3

Weigh it out

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

Names and synonyms

6 names

Butanal, 3,3-dimethyl-
Butyraldehyde, 3,3-dimethyl-
3,3-Dimethylbutyraldehyde
tert-Butylacetaldehyde
3-Methyl-isovaleraldehyde
2-tert-Butylacetaldehyde

Work with 3,3-Dimethylbutanal

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

Same formula

Methyl isobutyl ketone108-10-1 Cyclohexanol108-93-0 Isobutyl vinyl ether109-53-5 Butyl vinyl ether111-34-2 (±)-2-Methylpentanal123-15-9 2-Butyloxirane1436-34-6 1-Methylcyclopentanol1462-03-9 3-Propoxy-1-propene1471-03-0

Elsewhere

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