chloro(cycloocta-1,5-dien-1-yl)(pentamethylcyclopenta-2,4-dien-1-yl)ruthenium

• ChemBase ID: 796561
• Molecular Formular: C18H26ClRu
• Molecular Mass: 378.92204
• Monoisotopic Mass: 379.07665251
• SMILES: [Ru](C1(C(=C(C(=C1C)C)C)C)C)(C1=CCCC=CCC1)Cl
• Canonical SMILES: CC1=C(C)C(C(=C1C)C)(C)[Ru](C1=CCCC=CCC1)Cl
• InChI: InChI=1S/C10H15.C8H11.ClH.Ru/c1-6-7(2)9(4)10(5)8(6)3;1-2-4-6-8-7-5-3-1;;/h1-5H3;1-2,7H,3-6H2;1H;/q;;;+1/p-1
• InChIKey: HNEMFPZPTKIRJP-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(cycloocta-1,5-dien-1-yl)(pentamethylcyclopenta-2,4-dien-1-yl)ruthenium
• IUPAC Traditional name: chloro(cycloocta-1,5-dien-1-yl)(pentamethylcyclopenta-2,4-dien-1-yl)ruthenium
• Synonyms: Chloro(1,5-cyclooctadiene)(pentaMethylcyclopentadienyl)rutheniuM

Database IDs

• CAS Number: 92390-26-6

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5248
• LogD (pH = 7.4): 3.5248
• Log P: 3.5248
• Molar Refractivity: 90.4605 cm^3
• Polarizability: 37.81487 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%