bis(λ1-rhodium(1+) ion) bis((1Z,5Z)-cycloocta-1,5-diene) dichloride

• ChemBase ID: 287136
• Molecular Formular: C16H24Cl2Rh2
• Molecular Mass: 493.07876
• Monoisotopic Mass: 491.93651413
• SMILES: [Rh+].[Cl-].[Rh+].[Cl-].C1=CCCC=CCC1.C1=CCCC=CCC1
• Canonical SMILES: C1CC=CCCC=C1.C1CC=CCCC=C1.[Cl-].[Cl-].[Rh+].[Rh+]
• InChI: InChI=1S/2C8H12.2ClH.2Rh/c2*1-2-4-6-8-7-5-3-1;;;;/h2*1-2,7-8H,3-6H2;2*1H;;/q;;;;2*+1/p-2/b2*2-1-,8-7-
• InChIKey: QSUDXYGZLAJAQU-MIXQCLKLSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(λ^1-rhodium(1+) ion) bis((1Z,5Z)-cycloocta-1,5-diene) dichloride
• IUPAC Traditional name: bis(λ^1-rhodium(1+) ion) bis(1,5-cyclooctadiene, (Z,Z)-) dichloride
• Synonyms: (1,5-Cyclooctadiene)rhodium chloride dimer

Database IDs

• CAS Number: 12092-47-6
• MDL Number: MFCD00012415
• PubChem SID: 180672667
• PubChem CID: 6436379

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: true

PROPERTIES

Product Information

• Purity: 95+%