λ1-rhodium(1+) ion bis(methanidylidyneoxidanium) pentamethylcyclopenta-2,4-dien-1-ide

• ChemBase ID: 143217
• Molecular Formular: C12H15O2Rh
• Molecular Mass: 294.1518
• Monoisotopic Mass: 294.01270872
• SMILES: [C-]#[O+].[C-]#[O+].[Rh+].CC1=C([C-](C(=C1C)C)C)C
• Canonical SMILES: C[C-]1C(=C(C(=C1C)C)C)C.[O+]#[C-].[O+]#[C-].[Rh+]
• InChI: InChI=1S/C10H15.2CO.Rh/c1-6-7(2)9(4)10(5)8(6)3;2*1-2;/h1-5H3;;;/q-1;;;+1
• InChIKey: YBFZHIYDUWDIOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^1-rhodium(1+) ion bis(methanidylidyneoxidanium) pentamethylcyclopenta-2,4-dien-1-ide
• IUPAC Traditional name: λ^1-rhodium(1+) ion bis(carbon monoxide) pentamethylcyclopenta-2,4-dien-1-ide
• Synonyms: Dicarbonyl(pentamethylcyclopentadienyl)rhodium(I); 二羰基五甲基环戊二烯铑

Database IDs

• CAS Number: 32627-01-3
• MDL Number: MFCD00058847
• PubChem SID: 162237438
• PubChem CID: 12780715

CALCULATED PROPERTIES

• Acid pKa: 16.574366
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7594643
• LogD (pH = 7.4): 2.7594643
• Log P: 4.3233
• Molar Refractivity: 46.921 cm^3
• Polarizability: 17.660542 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 85-87 °C

Safety Information

• German water hazard class: 3
• Storage Temperature: -20°C

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): C12H15O2Rh

DETAILS

Sigma Aldrich - 714763

Packaging
100 mg in glass bottle
Application
Catalyst for:
• Dehydrogenative germylation of olefins1
• Cyclotrimerization of acetylenes2