bis(λ2-ruthenium(2+) ion) bis(1-methyl-4-(propan-2-yl)benzene) tetrachloride

• ChemBase ID: 125071
• Molecular Formular: C20H28Cl4Ru2
• Molecular Mass: 612.38832
• Monoisotopic Mass: 611.90320962
• SMILES: [Ru+2].[Ru+2].[Cl-].[Cl-].[Cl-].[Cl-].c1cc(ccc1C(C)C)C.c1cc(ccc1C(C)C)C
• Canonical SMILES: Cc1ccc(cc1)C(C)C.Cc1ccc(cc1)C(C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Ru+2].[Ru+2]
• InChI: InChI=1S/2C10H14.4ClH.2Ru/c2*1-8(2)10-6-4-9(3)5-7-10;;;;;;/h2*4-8H,1-3H3;4*1H;;/q;;;;;;2*+2/p-4
• InChIKey: LAXRNWSASWOFOT-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(λ^2-ruthenium(2+) ion) bis(1-methyl-4-(propan-2-yl)benzene) tetrachloride
• IUPAC Traditional name: bis(λ^2-ruthenium(2+) ion) bis(cymene) tetrachloride
• Synonyms: Dichloro(p-cymene)ruthenium(II) dimer; (Cymene)ruthenium dichloride dimer

Database IDs

• CAS Number: 52462-29-0
• PubChem SID: 162219421
• PubChem CID: 10121702
• Chemspider ID: 8297222
• Wikipedia Title: (Cymene)ruthenium_dichloride_dimer

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7316763
• LogD (pH = 7.4): 3.7316763
• Log P: 3.7316763
• Molar Refractivity: 45.29 cm^3
• Polarizability: 17.61825 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Slightly, with hydrolysis in water
• Apperance: Red solid
• Melting Point: 247-250 °C (decomp.)