hexaaluminium(3+) ion bis(silanedione) nonaoxidandiide

• ChemBase ID: 303105
• Molecular Formular: Al6H18O13Si2
• Molecular Mass: 444.195348
• Monoisotopic Mass: 443.91782548
• SMILES: [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].O=[Si]=O.O=[Si]=O.[AlH3+3].[AlH3+3].[AlH3+3].[AlH3+3].[AlH3+3].[AlH3+3]
• Canonical SMILES: O=[Si]=O.O=[Si]=O.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[AlH3+3].[AlH3+3].[AlH3+3].[AlH3+3].[AlH3+3].[AlH3+3]
• InChI: InChI=1S/6Al.2O2Si.9O/c;;;;;;2*1-3-2;;;;;;;;;/q6*+3;;;9*-2
• InChIKey: UUZHBDSMZINRCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexaaluminium(3+) ion bis(silanedione) nonaoxidandiide
• IUPAC Traditional name: hexaaluminium(3+) ion bis(silica) nonaoxidandiide
• Synonyms: Aluminum oxide/silicon oxide; Mullite; 多铝红柱石

Database IDs

• CAS Number: 1302-93-8
• EC Number: 215-113-2
• MDL Number: MFCD00058866

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.6578
• LogD (pH = 7.4): -0.6578
• Log P: -0.6578
• Molar Refractivity: 2.8858 cm^3
• Polarizability: 3.6543093 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: -325 Mesh Powder

Safety Information

• TSCA Listed: 是