dibismuth diborate

B2Bi2O6 — CID 159089298

IUPACdibismuth diborate
SMILES[Bi+3].[Bi+3].[O-]B([O-])[O-].[O-]B([O-])[O-]
InChIInChI=1S/2BO3.2Bi/c2*2-1(3)4;;/q2*-3;2*+3
InChIKeyKBVUWLXPRHHJNJ-UHFFFAOYSA-N
MW535.58 g/mol
LogP-8.66
Rot. Bonds

About dibismuth diborate

dibismuth diborate (PubChem CID 159089298) has the molecular formula B2Bi2O6 and a molecular weight of 535.58 g/mol. Its IUPAC name is dibismuth diborate.

Molecular Properties

Compound Namedibismuth diborate
PubChem CID159089298
Molecular FormulaB2Bi2O6
Molecular Weight535.58 g/mol
Exact Mass535.95
IUPAC Namedibismuth diborate
SMILES[Bi+3].[Bi+3].[O-]B([O-])[O-].[O-]B([O-])[O-]
InChIInChI=1S/2BO3.2Bi/c2*2-1(3)4;;/q2*-3;2*+3
InChIKeyKBVUWLXPRHHJNJ-UHFFFAOYSA-N
XLogP-8.66
TPSA138.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.58
LogP ≤ 5-8.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 dibismuth diborate?
The IUPAC name of dibismuth diborate (CID 159089298) is dibismuth diborate.
What is the SMILES notation for dibismuth diborate?
The canonical SMILES for dibismuth diborate is [Bi+3].[Bi+3].[O-]B([O-])[O-].[O-]B([O-])[O-].
What is the InChIKey of dibismuth diborate?
The InChIKey is KBVUWLXPRHHJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2BO3.2Bi/c2*2-1(3)4;;/q2*-3;2*+3.
What are the key properties of dibismuth diborate?
dibismuth diborate has a molecular weight of 535.58 g/mol, XLogP of -8.66, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibismuth diborate is sourced from PubChem (CID 159089298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).