dimethylsilanone; methyl(phenyl)silanone

• ChemBase ID: 303798
• Molecular Formular: C9H14O2Si2
• Molecular Mass: 210.37726
• Monoisotopic Mass: 210.05323275
• SMILES: C[Si](=O)C.C[Si](=O)c1ccccc1
• Canonical SMILES: C[Si](=O)c1ccccc1.C[Si](=O)C
• InChI: InChI=1S/C7H8OSi.C2H6OSi/c1-9(8)7-5-3-2-4-6-7;1-4(2)3/h2-6H,1H3;1-2H3
• InChIKey: XWFOTLCDICUQTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethylsilanone; methyl(phenyl)silanone
• IUPAC Traditional name: dimethylsilanone; methyl(phenyl)silanone
• Synonyms: Polyphenylmethylsiloxane, MW 2500-2700; 聚苯基甲基硅氧烷, MW 2500-2700

Database IDs

• CAS Number: 9005-12-3
• MDL Number: MFCD00146731

CALCULATED PROPERTIES

• Acid pKa: 19.00253
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3219
• LogD (pH = 7.4): 1.3219
• Log P: 1.3219
• Molar Refractivity: 32.6973 cm^3
• Polarizability: 14.920463 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Flash Point: 300°C(572°F)

Safety Information

• TSCA Listed: 否