λ1-ruthenium(1+) ion (1Z,5Z)-cycloocta-1,5-diene 1,2,3,5,5-pentamethylcyclopenta-1,3-diene chloride

• ChemBase ID: 287135
• Molecular Formular: C18H28ClRu
• Molecular Mass: 380.93792
• Monoisotopic Mass: 381.09230258
• SMILES: [Ru+].[Cl-].CC1=CC(C)(C)C(=C1C)C.C1=CCCC=CCC1
• Canonical SMILES: C1CC=CCCC=C1.CC1=CC(C(=C1C)C)(C)C.[Cl-].[Ru+]
• InChI: InChI=1S/C10H16.C8H12.ClH.Ru/c1-7-6-10(4,5)9(3)8(7)2;1-2-4-6-8-7-5-3-1;;/h6H,1-5H3;1-2,7-8H,3-6H2;1H;/q;;;+1/p-1/b;2-1-,8-7-
• InChIKey: JBVMVFXUVNUNNG-ONEVTFJLSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^1-ruthenium(1+) ion (1Z,5Z)-cycloocta-1,5-diene 1,2,3,5,5-pentamethylcyclopenta-1,3-diene chloride
• IUPAC Traditional name: λ^1-ruthenium(1+) ion 1,2,3,5,5-pentamethylcyclopenta-1,3-diene 1,5-cyclooctadiene, (Z,Z)- chloride
• Synonyms: Chloro(1,5-cyclooctadiene)(pentamethylcyclopentadienyl)ruthenium

Database IDs

• CAS Number: 92390-26-6
• MDL Number: MFCD07369035
• PubChem SID: 180672666
• PubChem CID: 71463654

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.81615
• LogD (pH = 7.4): 2.81615
• Log P: 2.81615
• Molar Refractivity: 47.1079 cm^3
• Polarizability: 18.013159 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%