chempirical

Decamethyltitanocene dichloride

C20H30Cl2TiCAS 11136-36-0389.23 g/mol

Open in Covalent MOL file
C−C−Cl−Cl−Ti4+

Properties

Molecular formula
C20H30Cl2Ti
Molar mass
389.23 g/mol
Exact mass
388.1204 Da
Melting point
190 °C (decomposes)
logP
-0.10Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
11136-36-0
SMILES
Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.[Cl-].[Cl-].[Ti+4]
InChIKey
LFMFRUBOWDXPAI-UHFFFAOYSA-L
InChI
InChI=1S/2C10H15.2ClH.Ti/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H;/q2*-1;;;+4/p-2

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

Names and synonyms

8 names
  • Titanium, dichlorobis[(1,2,3,4,5-η)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]-
  • 1,3-Cyclopentadiene, 1,2,3,4,5-pentamethyl-, titanium complex
  • Dichlorobis[(1,2,3,4,5-η)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]titanium
  • Dichlorobis(pentamethylcyclopentadienyl)titanium
  • Dichlorobis(η5-pentamethylcyclopentadienyl)titanium
  • Permethyltitanocene dichloride
  • Bis(Pentamethylcyclopentadienyl)titanium dichloride
  • Bis(η5-pentamethylcyclopentadienyl)titanium dichloride

Work with Decamethyltitanocene 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

(Pentamethylcyclopentadienyl)titanium trichloride12129-06-5100 % similar Pentamethylcyclopentadienyl iridium dichloride dimer12354-84-674 % similar Pentamethylcyclopentadienyl rhodium dichloride dimer12354-85-774 % similar Decamethylzirconocene dichloride54039-38-274 % 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 Titanium tetrachloride7550-45-030 % similar

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

Elsewhere

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