chempirical

Tetrakis(2,2,6,6-tetramethylheptane-3,5-dionato)zirconium

C44H76O8ZrCAS 18865-74-2824.31 g/mol

Open in Covalent MOL file
OCH−OOCH−OOCH−OOCH−OZr4+
Ketone

Properties

Molecular formula
C44H76O8Zr
Molar mass
824.31 g/mol
Exact mass
822.4587 Da
Melting point
192 °C (sublimes)
logP
9.68Crippen estimate
Polar surface area
136.6 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
8

Identifiers

CAS number
18865-74-2
SMILES
CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.[Zr+4]
InChIKey
MOOILSXNGBFZKZ-UHFFFAOYSA-N
InChI
InChI=1S/4C11H19O2.Zr/c4*1-10(2,3)8(12)7-9(13)11(4,5)6;/h4*7H,1-6H3;/q4*-1;+4

Weigh it out

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

Names and synonyms

14 names · show all
  • Zirconium, tetrakis(2,2,6,6-tetramethyl-3,5-heptanedionato-κO3,κO5)-
  • Zirconium, tetrakis(2,2,6,6-tetramethyl-3,5-heptanedionato)-
  • Zirconium, tetrakis(2,2,6,6-tetramethyl-3,5-heptanedionato-O,O′)-
  • Zirconium, tetrakis(2,2,6,6-tetramethyl-3,5-heptanedionato-κO,κO′)-
  • 3,5-Heptanedione, 2,2,6,6-tetramethyl-, zirconium complex
  • Tetrakis(2,2,6,6-tetramethyl-3,5-heptanedionato-κO3,κO5)zirconium
  • Tetrakis(dipivaloylmethanato)zirconium
  • Zirconium tetrakis(dipivaloylmethane)
  • Zirconium tetra(2,2,6,6-tetramethylheptanedioate)
  • Zirconium tetrakis(dipivaloylmethanate)
  • NSC 174883
  • Zirconium tetrakis(dipivaloylmethanato)
  • Tetrakis(2,2,6,6-tetramethyl-3,5-heptanedionato)zirconium(IV)
  • Zirconium tetrakis(2,2,6,6-tetramethyl-3,5-heptanedionate)

Work with Tetrakis(2,2,6,6-tetramethylheptane-3,5-dionato)zirconium

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

Zirconium acetylacetonate17501-44-938 % similar Di-tert-butyl ketone815-24-736 % similar 2,2,6,6-Tetramethyl-3,5-heptanedione1118-71-433 % similar (Sp-4-1)-bis(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-κO2,κO4)copper14781-45-433 % similar Bis(hexafluoroacetylacetonato)palladium64916-48-933 % similar Pivalic anhydride1538-75-632 % similar Pivaloyl chloride3282-30-232 % similar 2,2-Dimethylpropanethioic acid55561-02-932 % similar

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

Elsewhere

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