chempirical

Decamethylferrocene

C20H30FeCAS 12126-50-0326.30 g/mol

Open in Covalent MOL file
C−C−Fe2+

Properties

Molecular formula
C20H30Fe
Molar mass
326.30 g/mol
Exact mass
326.1697 Da
Melting point
277–278 °C
logP
5.89Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
12126-50-0
SMILES
Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.[Fe+2]
InChIKey
SEYZDJPFVVXSRB-UHFFFAOYSA-N
InChI
InChI=1S/2C10H15.Fe/c2*1-6-7(2)9(4)10(5)8(6)3;/h2*1-5H3;/q2*-1;+2

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Names and synonyms

7 names
  • Ferrocene, 1,1′,2,2′,3,3′,4,4′,5,5′-decamethyl-
  • Ferrocene, decamethyl-
  • 1,1′,2,2′,3,3′,4,4′,5,5′-Decamethylferrocene
  • Permethylferrocene
  • Bis(pentamethylcyclopentadienyl)iron
  • Bis(η5-pentamethylcyclopentadienyl)iron
  • Bis(pentamethylcyclopentadienyl)iron(II)

Work with Decamethylferrocene

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

Decamethyltitanocene dichloride11136-36-061 % similar (Pentamethylcyclopentadienyl)titanium trichloride12129-06-561 % similar Pentamethylcyclopentadienyl iridium dichloride dimer12354-84-661 % similar Pentamethylcyclopentadienyl rhodium dichloride dimer12354-85-761 % similar Decamethylzirconocene dichloride54039-38-261 % similar Ruthenium, dichloro[(1,2,3,4,5-η)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]-, homopolymer96503-27-461 % similar

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

Elsewhere

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