chempirical

Aluminum tri-sec-butoxide

C12H27AlO3CAS 2269-22-9246.33 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
logP
0.40Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
2269-22-9
SMILES
CCC(C)[O-].CCC(C)[O-].CCC(C)[O-].[Al+3]
InChIKey
UTMJYTVLBRHOTO-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O.Al/c1-3-4(2)5;/h4-5H,3H2,1-2H3;

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Names and synonyms

21 names · show all
  • 2-Butanol, aluminum salt (3:1)
  • sec-Butyl alcohol, aluminum salt
  • 2-Butanol, aluminum salt
  • Aluminum sec-butoxide
  • Tri-sec-butoxyaluminum
  • Aluminum tris(sec-butoxide)
  • Aluminum 2-butoxide
  • Aluminum sec-butylate
  • Aluminum tri(sec-butylate)
  • Tris(2-butoxy)aluminum
  • Tris(sec-butoxy)aluminum
  • Tris(2-butanolato)aluminum
  • ASBD
  • ASB (salt)
  • ASB
  • Aluminum sec-butanolate
  • Aluminum tri-s-butoxide
  • Aluminium tri-sec-butoxide
  • A 1001 (Catalyst)
  • AL 3001
  • Orgatix AL 3001

Work with Aluminum tri-sec-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Butanol78-92-2Parent compound (-)-2-Butanol14898-79-4Parent compound, defined stereoisomer (+)-2-Butanol4221-99-2Parent compound, defined stereoisomer (±)-2-Butanol15892-23-6Parent compound

Similar compounds

Aluminium isopropoxide555-31-738 % similar 3,4-Dimethylhexane583-48-233 % similar Isopentane78-78-433 % similar 3-Methylpentane96-14-033 % similar Aluminium triethoxide555-75-932 % similar 3-Ethyl-2-methylpentane609-26-730 % similar 3,5-Dimethylheptane926-82-930 % similar

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

Same formula

Aluminum tributoxide3085-30-1 Aluminum tert-butoxide556-91-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook