dialuminium(3+) ion [(trioxidosilyl)oxy]silanetris(olate) dihydrate

• ChemBase ID: 302996
• Molecular Formular: Al2H10O9Si2
• Molecular Mass: 264.208076
• Monoisotopic Mass: 263.94941222
• SMILES: O.O.[O-][Si]([O-])([O-])O[Si]([O-])([O-])[O-].[AlH3+3].[AlH3+3]
• Canonical SMILES: [O-][Si](O[Si]([O-])([O-])[O-])([O-])[O-].O.O.[AlH3+3].[AlH3+3]
• InChI: InChI=1S/2Al.O7Si2.2H2O/c;;1-8(2,3)7-9(4,5)6;;/h;;;2*1H2/q2*+3;-6
• InChIKey: KGOIAFZMMLWXLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dialuminium(3+) ion [(trioxidosilyl)oxy]silanetris(olate) dihydrate
• IUPAC Traditional name: dialuminium(3+) ion disilicate dihydrate
• Synonyms: Kaolinite; Aluminum silicate; 硅酸铝

Database IDs

• CAS Number: 12428-46-5
• MDL Number: MFCD00062311

CALCULATED PROPERTIES

• Acid pKa: 8.235862
• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): -3.858793
• LogD (pH = 7.4): -3.9185972
• Log P: -3.858
• Molar Refractivity: 10.0076 cm^3
• Polarizability: 10.201153 Å^3
• Polar Surface Area: 147.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• TSCA Listed: 是