chempirical

Petasis reagent

C12H16TiCAS 1271-66-5208.13 g/mol

Open in Covalent MOL file
CH3−CH3−Ti4+HC−HC−

Properties

Molecular formula
C12H16Ti
Molar mass
208.13 g/mol
Exact mass
208.0731 Da
logP
3.71Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
1271-66-5
SMILES
[CH3-].[CH3-].[Ti+4].c1cc[cH-]c1.c1cc[cH-]c1
InChIKey
YNBJMIXWGPOBGE-UHFFFAOYSA-N
InChI
InChI=1S/2C5H5.2CH3.Ti/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H3;/q4*-1;+4

Weigh it out

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

Names and synonyms

11 names
  • Titanium, bis(η5-2,4-cyclopentadien-1-yl)dimethyl-
  • Titanium, di-π-cyclopentadienyldimethyl-
  • Titanium, dicyclopentadienyldimethyl-
  • Bis(η5-2,4-cyclopentadien-1-yl)dimethyltitanium
  • Dicyclopentadienyldimethyltitanium
  • Bis(cyclopentadienyl)dimethyltitanium
  • Dicyclopentadienyldimethyltitanium(IV)
  • Bis(η5-cyclopentadienyl)dimethyltitanium
  • Bis(cyclopentadienyl)dimethyltitanium(IV)
  • Bis(π-Cyclopentadienyl)dimethyltitanium
  • Dimethyltitanocene

Reactions

Work with Petasis reagent

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

(Cyclopentadienyl)titanium trichloride1270-98-065 % similar Titanocene dichloride1271-19-865 % similar Ferrocene102-54-547 % similar Chromocene1271-24-547 % similar Nickelocene1271-28-947 % similar Cobaltocene1277-43-647 % similar Magnesocene1284-72-647 % similar Ruthenocene1287-13-447 % similar

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

Elsewhere

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