osmium(2+) ion bis(pentamethylcyclopenta-2,4-dien-1-ide)

• ChemBase ID: 146824
• Molecular Formular: C20H30Os
• Molecular Mass: 460.6822
• Monoisotopic Mass: 462.19623096
• SMILES: [Os+2].CC1=C([C-](C(=C1C)C)C)C.CC1=C([C-](C(=C1C)C)C)C
• Canonical SMILES: C[C-]1C(=C(C(=C1C)C)C)C.C[C-]1C(=C(C(=C1C)C)C)C.[Os+2]
• InChI: InChI=1S/2C10H15.Os/c2*1-6-7(2)9(4)10(5)8(6)3;/h2*1-5H3;/q2*-1;+2
• InChIKey: YDLRHWLCYHBMBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: osmium(2+) ion bis(pentamethylcyclopenta-2,4-dien-1-ide)
• IUPAC Traditional name: osmium(2+) ion bis(pentamethylcyclopenta-2,4-dien-1-ide)
• Synonyms: Decamethylosmocene; Bis(pentamethylcyclopentadienyl)osmium(II); 十甲基二茂锇; 双(五甲基环戊二烯)锇(II)

Database IDs

• CAS Number: 100603-32-5
• MDL Number: MFCD00058711
• PubChem SID: 162241016; 24867721
• PubChem CID: 50919664

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

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Linear Formula: Os(C5(CH3)5)2

DETAILS

Sigma Aldrich - 442054

Packaging
1 g in glass bottle
Application
Reactant for synthesis of:
• Bimetallic manganese tricarbonyl-capped metallocenes1
• 30-Electron triple-decker complexes of iron group metals2
• Nonamethylosmocenylcarbenium ions3
• Decamethyl osmocene derivatives4