dialuminum;barium(2+);disilicate

Al2BaO8Si2 — CID 72720457

IUPACdialuminum;barium(2+);disilicate
SMILES[Al+3].[Al+3].[Ba+2].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/2Al.Ba.2O4Si/c;;;2*1-5(2,3)4/q2*+3;+2;2*-4
InChIKeyVSTKPOMVZKOBTG-UHFFFAOYSA-N
MW375.46 g/mol
LogP-11.42
Rot. Bonds

About dialuminum;barium(2+);disilicate

dialuminum;barium(2+);disilicate (PubChem CID 72720457) has the molecular formula Al2BaO8Si2 and a molecular weight of 375.46 g/mol. Its IUPAC name is dialuminum;barium(2+);disilicate.

Molecular Properties

Compound Namedialuminum;barium(2+);disilicate
PubChem CID72720457
Molecular FormulaAl2BaO8Si2
Molecular Weight375.46 g/mol
Exact Mass375.78
IUPAC Namedialuminum;barium(2+);disilicate
SMILES[Al+3].[Al+3].[Ba+2].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/2Al.Ba.2O4Si/c;;;2*1-5(2,3)4/q2*+3;+2;2*-4
InChIKeyVSTKPOMVZKOBTG-UHFFFAOYSA-N
XLogP-11.42
TPSA184.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 5-11.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dialuminum;barium(2+);disilicate?
The IUPAC name of dialuminum;barium(2+);disilicate (CID 72720457) is dialuminum;barium(2+);disilicate.
What is the SMILES notation for dialuminum;barium(2+);disilicate?
The canonical SMILES for dialuminum;barium(2+);disilicate is [Al+3].[Al+3].[Ba+2].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].
What is the InChIKey of dialuminum;barium(2+);disilicate?
The InChIKey is VSTKPOMVZKOBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/2Al.Ba.2O4Si/c;;;2*1-5(2,3)4/q2*+3;+2;2*-4.
What are the key properties of dialuminum;barium(2+);disilicate?
dialuminum;barium(2+);disilicate has a molecular weight of 375.46 g/mol, XLogP of -11.42, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;barium(2+);disilicate is sourced from PubChem (CID 72720457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).