diiridium(1+) ion bis(cycloocta-1,5-diene) dichloride

• ChemBase ID: 112399
• Molecular Formular: C16H24Cl2Ir2
• Molecular Mass: 671.70176
• Monoisotopic Mass: 672.05135813
• SMILES: [Cl-].[Cl-].[Ir+].[Ir+].C1CC=CCCC=C1.C1CC=CCCC=C1
• Canonical SMILES: C1CC=CCCC=C1.C1CC=CCCC=C1.[Cl-].[Cl-].[Ir+].[Ir+]
• InChI: InChI=1S/2C8H12.2ClH.2Ir/c2*1-2-4-6-8-7-5-3-1;;;;/h2*1-2,7-8H,3-6H2;2*1H;;/q;;;;2*+1/p-2
• InChIKey: ZFOUDQNHNLDNLD-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: diiridium(1+) ion bis(cycloocta-1,5-diene) dichloride
• IUPAC Traditional name: diiridium(1+) ion bis(1,5-cyclooctadiene) dichloride
• Synonyms: IRIDIUM CHLORO-1,5-CYCLOOCTADIENE

Database IDs

• CAS Number: 12112-67-3
• PubChem SID: 162097409
• PubChem CID: 6436381

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.832706
• LogD (pH = 7.4): 2.832706
• Log P: 2.832706
• Molar Refractivity: 39.0412 cm^3
• Polarizability: 14.319889 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 190°C

DETAILS

MP Biomedicals - 05223734

MP Biomedicals Rare Chemical collection