chempirical

Bis(2-ethylhexanoato-kappaO)hydroxyaluminum

C16H31AlO5CAS 30745-55-2330.40 g/mol

Open in Covalent MOL file
OO−OO−Al3+HO−
Carboxylic acid

Properties

Molecular formula
C16H31AlO5
Molar mass
330.40 g/mol
Exact mass
330.1987 Da
logP
1.35Crippen estimate
Polar surface area
110.3 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
10

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
30745-55-2
SMILES
CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Al+3].[OH-]
InChIKey
ITXFWNWNWXSDBB-UHFFFAOYSA-K
InChI
InChI=1S/2C8H16O2.Al.H2O/c2*1-3-5-6-7(4-2)8(9)10;;/h2*7H,3-6H2,1-2H3,(H,9,10);;1H2/q;;+3;/p-3

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Names and synonyms

8 names
  • Hydroxyl aluminium bis(2-ethylhexanoate)
  • Aluminum, bis(2-ethylhexanoato-κO)hydroxy-
  • Aluminum, bis(2-ethylhexanoato-O)hydroxy-
  • Aluminum, bis(2-ethylhexanoato)hydroxy-
  • Hexanoic acid, 2-ethyl-, aluminum complex
  • Bis(2-ethylhexanoato-κO)hydroxyaluminum
  • Hydroxyaluminum bis(2-ethylhexanoate)
  • Bis(2-ethylhexanoato)hydroxyaluminum

Work with Bis(2-ethylhexanoato-kappaO)hydroxyaluminum

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-Ethylhexanoic acid149-57-5Free acid Tin(II) 2-ethylhexanoate301-10-0Salt Cobalt octoate136-52-7Salt Potassium 2-ethylhexanoate3164-85-0Salt Chromium(III) 2-ethylhexanoate3444-17-5Salt Zinc 2-ethylhexanoate136-53-8Salt Bismuth tris(2-ethylhexanoate)67874-71-9Salt Manganese bis(2-ethylhexanoate)13434-24-7Salt Calcium 2-ethylhexanoate136-51-6Salt Copper(II) 2-ethylhexanoate149-11-1Salt Lead bis(2-ethylhexanoate)301-08-6Salt Sodium 2-ethylhexanoate19766-89-3Salt

Similar compounds

Butyltin tris(2-ethylhexanoate)23850-94-464 % similar 1,1′-(Dibutylstannylene) bis(2-ethylhexanoate)2781-10-464 % similar 2-Ethylhexanoyl chloride760-67-847 % similar Sodium valproate1069-66-546 % similar Aluminum distearate300-92-545 % similar Aluminium monostearate7047-84-945 % similar Rhodium(III) 2-ethylhexanoate20845-92-544 % similar Zirconium 2-ethylhexanoate22464-99-944 % similar

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

Elsewhere

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