dioxo-2,4-dioxa-3-sila-1,5-dialuminapentan-3-one

• ChemBase ID: 130528
• Molecular Formular: Al2H2O5Si
• Molecular Mass: 164.061456
• Monoisotopic Mass: 163.93022696
• SMILES: O=[AlH]O[Si](=O)O[AlH]=O
• Canonical SMILES: O=[AlH]O[Si](=O)O[AlH]=O
• InChI: InChI=1S/2Al.O3Si.2O/c;;1-4(2)3;;/q2*+1;-2
• InChIKey: PZZYQPZGQPZBDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dioxo-2,4-dioxa-3-sila-1,5-dialuminapentan-3-one
• IUPAC Traditional name: aluminium silicate
• Synonyms: Aluminium silicate

Database IDs

• PubChem SID: 162224807
• PubChem CID: 10313254; 16703273
• Chemspider ID: 8488719
• Wikipedia Title: Aluminium_silicate

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4332
• LogD (pH = 7.4): 2.4332
• Log P: 2.4332
• Molar Refractivity: 7.0291 cm^3
• Polarizability: 10.280346 Å^3
• Polar Surface Area: 69.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true