λ2-iron(2+) ion 3-[cyclopenta-1,4-dien-3-id-1-yl(ethenyl)methylsilyl]cyclopenta-2,4-dien-1-ide

• ChemBase ID: 174568
• Molecular Formular: C13H14FeSi
• Molecular Mass: 254.18076
• Monoisotopic Mass: 254.02141448
• SMILES: [Fe+2].C1=CC(=C[CH-]1)[Si](C1=C[CH-]C=C1)(C=C)C
• Canonical SMILES: C=C[Si](C1=C[CH-]C=C1)(C1=C[CH-]C=C1)C.[Fe+2]
• InChI: InChI=1S/C13H14Si.Fe/c1-3-14(2,12-8-4-5-9-12)13-10-6-7-11-13;/h3-11H,1H2,2H3;/q-2;+2
• InChIKey: AXKOZALUROFHIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-iron(2+) ion 3-[cyclopenta-1,4-dien-3-id-1-yl(ethenyl)methylsilyl]cyclopenta-2,4-dien-1-ide
• IUPAC Traditional name: λ^2-iron(2+) ion 3-[cyclopenta-1,4-dien-3-id-1-yl(ethenyl)methylsilyl]cyclopenta-2,4-dien-1-ide
• Synonyms: Methyl Vinyl[1]sila Ferrocenophane

Database IDs

• PubChem SID: 164230478
• PubChem CID: 71750710

CALCULATED PROPERTIES

• Acid pKa: 15.866953
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6263
• LogD (pH = 7.4): 2.6263
• Log P: 5.6813
• Molar Refractivity: 57.294 cm^3
• Polarizability: 25.02097 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

DETAILS

Toronto Research Chemicals - M338565

Diblock copolymers with amorphous atactic polyferrocenylsilane blocks. Used as porous membranes, lithographic templates, and photonic band gap materials. Coordination compound.

REFERENCES

• Krausch, G., et al.: Adv. Mater., 14, 1579 (2002)
• Hou, S., et al.: Lamgmuir, 19, 2485 (2002)