1,1′-Diethylferrocene

C₁₄H₁₈FeCAS 1273-97-8242.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₈Fe
Molar mass: 242.14 g/mol
Exact mass: 242.0758 Da
Density: 1.1787 g/mL (at 20 °C)
Boiling point: 123–124 °C (at 5.5 Torr)
logP: 3.93Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Identifiers

CAS number

1273-97-8

SMILES

CCc1ccc[cH-]1.CCc1ccc[cH-]1.[Fe+2]

InChIKey

CJCVWCLJWGEOOG-UHFFFAOYSA-N

InChI

InChI=1S/2C7H9.Fe/c2*1-2-7-5-3-4-6-7;/h2*3-6H,2H2,1H3;/q2*-1;+2

Weigh it out

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

Names and synonyms

2 names

Ferrocene, 1,1′-diethyl-
Iron, bis(ethylcyclopentadienyl)-

Work with 1,1′-Diethylferrocene

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

Ethylferrocene1273-89-885 % similar N,N-Dimethylaminomethylferrocene1271-86-955 % similar 1,1′-Dimethylferrocene1291-47-046 % similar Ferroceneacetic acid1287-16-742 % similar Bis(butylcyclopentadienyl)zirconium dichloride73364-10-042 % similar 1,1'-Bis(diphenylphosphino)ferrocene12150-46-835 % similar 1,1'-Ferrocenedicarboxylic acid1293-87-434 % similar 1-Ferrocenylethanol1277-49-234 % similar

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

Same formula

Butylferrocene31904-29-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook