chempirical

Aluminum tert-butoxide

C12H27AlO3CAS 556-91-2246.33 g/mol

Open in Covalent MOL file
O−O−O−Al3+
Alcohol

Properties

Molecular formula
C12H27AlO3
Molar mass
246.33 g/mol
Exact mass
246.1776 Da
Boiling point
160–170 °C (at 1 Torr)
logP
0.40Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
556-91-2
SMILES
CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Al+3]
InChIKey
ZYJCNKZDMOOHSA-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O.Al/c1-4(2,3)5;/h5H,1-3H3;

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Names and synonyms

11 names
  • 2-Propanol, 2-methyl-, aluminum salt (3:1)
  • tert-Butyl alcohol, aluminum salt
  • 2-Propanol, 2-methyl-, aluminum salt
  • Aluminum tert-butylate
  • Tri-tert-butoxyaluminum
  • Aluminum tert-butanolate
  • Aluminum tri-tert-butoxide
  • Aluminum tris(tert-butoxide)
  • Tris(2-methyl-2-propanolato)aluminum
  • Aluminum t-butoxide
  • Aluminum tris(tert-butylate)

Reactions

Work with Aluminum tert-butoxide

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

Lithium tert-butoxide1907-33-160 % similar Magnesium tert-butoxide32149-57-860 % similar Potassium tert-butoxide865-47-460 % similar Sodium tert-butoxide865-48-560 % similar Lithium tri-tert-butoxyaluminum hydride17476-04-950 % similar

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

Same formula

Aluminum tri-sec-butoxide2269-22-9 Aluminum tributoxide3085-30-1

Elsewhere

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