chempirical

1,1′-Dimethylferrocene

C12H14FeCAS 1291-47-0214.09 g/mol

Open in Covalent MOL file
HC−HC−Fe2+

Properties

Molecular formula
C12H14Fe
Molar mass
214.09 g/mol
Exact mass
214.0445 Da
Density
1.2349 g/mL (at 35 °C)
Melting point
34–35 °C
Boiling point
70–80 °C (at 2 Torr)
logP
3.43Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
1291-47-0
SMILES
Cc1ccc[cH-]1.Cc1ccc[cH-]1.[Fe+2]
InChIKey
YTOVAWUSMUMHIM-UHFFFAOYSA-N
InChI
InChI=1S/2C6H7.Fe/c2*1-6-4-2-3-5-6;/h2*2-5H,1H3;/q2*-1;+2

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Names and synonyms

4 names
  • Ferrocene, 1,1′-dimethyl-
  • Iron, bis(methylcyclopentadienyl)-
  • Bis(methylcyclopentadienyl)iron
  • Dimethylferrocene

Work with 1,1′-Dimethylferrocene

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

Trimethyl(methylcyclopentadienyl)platinum94442-22-564 % similar Methylcyclopentadienyl manganese tricarbonyl12108-13-357 % similar 1,1′-Diethylferrocene1273-97-846 % similar 1,1'-Bis(diphenylphosphino)ferrocene12150-46-839 % similar 1,1'-Ferrocenedicarboxylic acid1293-87-438 % similar N,N-Dimethylaminomethylferrocene1271-86-937 % similar 1-Ferrocenylethanol1277-49-237 % similar Vinylferrocene1271-51-836 % similar

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

Same formula

Ethylferrocene1273-89-8

Elsewhere

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