chempirical

Zirconium 2-ethylhexanoate

C8H16O2ZrCAS 22464-99-9235.44 g/mol

Open in Covalent MOL file
OOHZr
Carboxylic acid

Properties

Molecular formula
C8H16O2Zr
Molar mass
235.44 g/mol
Exact mass
234.0197 Da
Density
1.27 g/mL
logP
2.28Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5

Identifiers

CAS number
22464-99-9
SMILES
CCCCC(CC)C(=O)O.[Zr]
InChIKey
HBHXRPHNNKAWQL-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O2.Zr/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);

Weigh it out

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

Names and synonyms

5 names
  • Hexanoic acid, 2-ethyl-, zirconium salt (1:?)
  • Hexanoic acid, 2-ethyl-, zirconium salt
  • Zirconium hex-cem
  • Octope zr
  • Octa-soligen zirconium 10

Work with Zirconium 2-ethylhexanoate

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

2-Ethylhexanoic acid149-57-589 % similar Rhodium(III) 2-ethylhexanoate20845-92-581 % similar 2-Hexyldecanoic acid25354-97-663 % similar Buciclic acid38289-28-059 % similar 2-Ethylbutanoic acid88-09-559 % similar Butylmalonic acid534-59-856 % similar Valproic acid99-66-155 % similar 2-Methylhexanoic acid4536-23-653 % similar

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

Elsewhere

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