λ2-ruthenium(2+) ion bis(2,4-dimethylpenta-1,4-dien-3-ide)

• ChemBase ID: 143221
• Molecular Formular: C14H22Ru
• Molecular Mass: 291.39448
• Monoisotopic Mass: 292.0764997
• SMILES: CC(=C)[CH-]C(=C)C.CC(=C)[CH-]C(=C)C.[Ru+2]
• Canonical SMILES: CC(=C)[CH-]C(=C)C.CC(=C)[CH-]C(=C)C.[Ru+2]
• InChI: InChI=1S/2C7H11.Ru/c2*1-6(2)5-7(3)4;/h2*5H,1,3H2,2,4H3;/q2*-1;+2
• InChIKey: QQWWZZLZVNUYLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-ruthenium(2+) ion bis(2,4-dimethylpenta-1,4-dien-3-ide)
• IUPAC Traditional name: λ^2-ruthenium(2+) ion bis(2,4-dimethylpenta-1,4-dien-3-ide)
• Synonyms: Bis(η5-2,4-dimethylpentadienyl)ruthenium(II); Bis(2,4-dimethylpentadienyl)ruthenium(II); 双(η5-2,4-二甲基戊二烯)钌(II); 双(2,4-二甲基戊二烯)钌(II)

Database IDs

• CAS Number: 85908-78-7
• PubChem SID: 162237442
• PubChem CID: 54719841

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.9785395
• LogD (pH = 7.4): -0.9785395
• Log P: 2.5653157
• Molar Refractivity: 32.2523 cm^3
• Polarizability: 13.114349 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 91-93 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Purity: 99%
• Linear Formula: Ru(C7H11)2

DETAILS

Sigma Aldrich - 714976

Packaging
500 mg in glass bottle