chempirical

Decamethylzirconocene dichloride

C20H30Cl2ZrCAS 54039-38-2432.58 g/mol

Open in Covalent MOL file
C−C−Cl−Cl−Zr4+

Properties

Molecular formula
C20H30Cl2Zr
Molar mass
432.58 g/mol
Exact mass
430.0772 Da
Melting point
above 300 °C
logP
-0.10Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
54039-38-2
SMILES
Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.[Cl-].[Cl-].[Zr+4]
InChIKey
UJYDWRDELGVHLP-UHFFFAOYSA-L
InChI
InChI=1S/2C10H15.2ClH.Zr/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H;/q2*-1;;;+4/p-2

Weigh it out

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

Names and synonyms

7 names
  • Zirconium, dichlorobis[(1,2,3,4,5-η)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]-
  • Dichlorobis[(1,2,3,4,5-η)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]zirconium
  • Bis(pentamethylcyclopentadienyl)zirconium dichloride
  • Dichlorobis(η5-pentamethylcyclopentadienyl)zirconium
  • Dichlorobis(pentamethylcyclopentadienyl)zirconium
  • Bis(1,2,3,4,5-pentamethylcyclopentadienyl)zirconium dichloride
  • Bis(η5-pentamethylcyclopentadienyl)zirconium dichloride

Work with Decamethylzirconocene dichloride

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

Decamethyltitanocene dichloride11136-36-074 % similar (Pentamethylcyclopentadienyl)titanium trichloride12129-06-574 % similar Pentamethylcyclopentadienyl iridium dichloride dimer12354-84-674 % similar Pentamethylcyclopentadienyl rhodium dichloride dimer12354-85-774 % similar Ruthenium, dichloro[(1,2,3,4,5-η)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]-, homopolymer96503-27-474 % similar Decamethylferrocene12126-50-061 % similar

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

Same formula

Bis(1-butyl-3-methylcyclopentadienyl)zirconium dichloride151840-68-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia