λ2-rhodium(2+) ion bis(cyclopenta-2,4-dien-1-ide)

• ChemBase ID: 129272
• Molecular Formular: C10H10Rh
• Molecular Mass: 233.0919
• Monoisotopic Mass: 232.98375432
• SMILES: [CH-]1C=CC=C1.[CH-]1C=CC=C1.[Rh+2]
• Canonical SMILES: [CH-]1C=CC=C1.[CH-]1C=CC=C1.[Rh+2]
• InChI: InChI=1S/2C5H5.Rh/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2
• InChIKey: IWAKCRNSZSPDTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-rhodium(2+) ion bis(cyclopenta-2,4-dien-1-ide)
• IUPAC Traditional name: λ^2-rhodium(2+) ion bis(cyclopentadienide)
• Synonyms: rhodocene; dicyclopentadienylrhodium; Rhodocene

Database IDs

• CAS Number: 12318-21-7
• PubChem SID: 162223566
• PubChem CID: 3082022
• Chemspider ID: 2339512
• Wikipedia Title: Rhodocene

CALCULATED PROPERTIES

• Acid pKa: 16.226988
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.499
• LogD (pH = 7.4): 1.499
• Log P: 2.248
• Molar Refractivity: 21.715 cm^3
• Polarizability: 8.791516 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: somewhat soluble in dichloromethane (dimer); soluble in acetonitrile
• Apperance: yellow solid (dimer)
• Melting Point: 174 °C with decomposition (dimer)