chempirical

Vinylferrocene

C12H12FeCAS 1271-51-8212.07 g/mol

Open in Covalent MOL file
HC−Fe2+HC−
Alkene

Properties

Molecular formula
C12H12Fe
Molar mass
212.07 g/mol
Exact mass
212.0288 Da
Melting point
50–52 °C
Boiling point
80–85 °C (at 0.2 Torr)
logP
3.45Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
1271-51-8
SMILES
C=Cc1ccc[cH-]1.[Fe+2].c1cc[cH-]c1
InChIKey
VGBAECKRTWHKHC-UHFFFAOYSA-N
InChI
InChI=1S/C7H7.C5H5.Fe/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;/h2-6H,1H2;1-5H;/q2*-1;+2

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Names and synonyms

7 names
  • Ferrocene, ethenyl-
  • Ferrocene, vinyl-
  • Iron, cyclopentadienyl(vinylcyclopentadienyl)-
  • Ethenylferrocene
  • Ferrocenylethylene
  • Ferrocenylethene
  • 2-(Ferrocenyl)ethene

Work with Vinylferrocene

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

Ethylferrocene1273-89-844 % similar Ferrocene102-54-542 % similar Ferrocenecarboxylic acid1271-42-741 % similar N,N-Dimethylaminomethylferrocene1271-86-941 % similar 1-Ferrocenylethanol1277-49-241 % similar Butylferrocene31904-29-740 % similar [(1S)-1-(Dimethylamino)ethyl]ferrocene31886-57-439 % similar [(1R)-1-(Dimethylamino)ethyl]ferrocene31886-58-539 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia