chempirical

Nickelocene

C10H10NiCAS 1271-28-9188.88 g/mol

Open in Covalent MOL file
Ni2+HC−HC−

Properties

Molecular formula
C10H10Ni
Molar mass
188.88 g/mol
Exact mass
188.0136 Da
Melting point
172–173 °C (decomposes)
logP
2.81Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
1271-28-9
SMILES
[Ni+2].c1cc[cH-]c1.c1cc[cH-]c1
InChIKey
KZPXREABEBSAQM-UHFFFAOYSA-N
InChI
InChI=1S/2C5H5.Ni/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2

Weigh it out

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

Names and synonyms

8 names
  • Nickel, di-π-cyclopentadienyl-
  • Nickel, dicyclopentadienyl-
  • Di-π-cyclopentadienylnickel
  • Dicyclopentadienylnickel
  • Nickel, bis(η5-2,4-cyclopentadien-1-yl)-
  • Bis(η5-2,4-cyclopentadien-1-yl)nickel
  • Bis(cyclopentadienyl)nickel(II)
  • Bis(η5-cyclopentadienyl)nickel

Work with Nickelocene

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

Ferrocene102-54-557 % similar Chromocene1271-24-557 % similar Cobaltocene1277-43-657 % similar Magnesocene1284-72-657 % similar Ruthenocene1287-13-457 % similar Tris(η5-2,4-cyclopentadien-1-yl)ytterbium1295-20-157 % similar Vanadocene dichloride12083-48-647 % similar Hafnocene dichloride12116-66-447 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia