λ2-ruthenium(2+) ion (1Z,5Z)-cycloocta-1,5-diene dichloride

• ChemBase ID: 302717
• Molecular Formular: C8H12Cl2Ru
• Molecular Mass: 280.15688
• Monoisotopic Mass: 279.93595474
• SMILES: C1C=CCCC=CC1.[Cl-].[Cl-].[Ru+2]
• Canonical SMILES: C1CC=CCCC=C1.[Cl-].[Cl-].[Ru+2]
• InChI: InChI=1S/C8H12.2ClH.Ru/c1-2-4-6-8-7-5-3-1;;;/h1-2,7-8H,3-6H2;2*1H;/q;;;+2/p-2/b2-1-,8-7-
• InChIKey: DMRVBCXRFYZCPR-PHFPKPIQSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-ruthenium(2+) ion (1Z,5Z)-cycloocta-1,5-diene dichloride
• IUPAC Traditional name: λ^2-ruthenium(2+) ion 1,5-cyclooctadiene, (Z,Z)- dichloride
• Synonyms: Dichloro(1,5-cyclooctadiene)ruthenium(II), polymer; (1,5-环辛二烯)氯化钌, 聚合物

Database IDs

• CAS Number: 50982-12-2
• MDL Number: MFCD00171304

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

Physical Property

• Apperance: Powder
• Melting Point: 200°C dec.

Safety Information

• TSCA Listed: 否