dialuminum diborate

Al2B2O6 — CID 22359065

IUPACdialuminum diborate
SMILES[Al+3].[Al+3].[O-]B([O-])[O-].[O-]B([O-])[O-]
InChIInChI=1S/2Al.2BO3/c;;2*2-1(3)4/q2*+3;2*-3
InChIKeyONCBNVMRSQUISN-UHFFFAOYSA-N
MW171.58 g/mol
LogP-8.66
Rot. Bonds

About dialuminum diborate

dialuminum diborate (PubChem CID 22359065) has the molecular formula Al2B2O6 and a molecular weight of 171.58 g/mol. Its IUPAC name is dialuminum diborate.

Molecular Properties

Compound Namedialuminum diborate
PubChem CID22359065
Molecular FormulaAl2B2O6
Molecular Weight171.58 g/mol
Exact Mass171.95
IUPAC Namedialuminum diborate
SMILES[Al+3].[Al+3].[O-]B([O-])[O-].[O-]B([O-])[O-]
InChIInChI=1S/2Al.2BO3/c;;2*2-1(3)4/q2*+3;2*-3
InChIKeyONCBNVMRSQUISN-UHFFFAOYSA-N
XLogP-8.66
TPSA138.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.58
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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Related Compounds

aluminum;lutetium(3+);borate
CID 18964317
trialuminum;yttrium(3+);tetraborate
CID 117065339
aluminum;tris(cobalt(2+));triborate
CID 173359634
tetraaluminum;triborate;trihydroxide
CID 173042860
aluminum;gadolinium;borate
CID 174462656
aluminum;copper;borate
CID 86742028
aluminum;cerium(3+);borate
CID 19825559
aluminum;samarium(3+);diborate
CID 161016046
hexamagnesium;tetraborate
CID 19981642
trisulfanium;borate
CID 22561123
tetraborate;pentahydrate
CID 18463322
dibismuth diborate
CID 159089298

Frequently Asked Questions

What is the IUPAC name of dialuminum diborate?
The IUPAC name of dialuminum diborate (CID 22359065) is dialuminum diborate.
What is the SMILES notation for dialuminum diborate?
The canonical SMILES for dialuminum diborate is [Al+3].[Al+3].[O-]B([O-])[O-].[O-]B([O-])[O-].
What is the InChIKey of dialuminum diborate?
The InChIKey is ONCBNVMRSQUISN-UHFFFAOYSA-N. The full InChI is InChI=1S/2Al.2BO3/c;;2*2-1(3)4/q2*+3;2*-3.
What are the key properties of dialuminum diborate?
dialuminum diborate has a molecular weight of 171.58 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 dialuminum diborate is sourced from PubChem (CID 22359065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).