dilithium;boric acid;hydrogen borate

H10B4Li2O12 — CID 157164950

IUPACdilithium;boric acid;hydrogen borate
SMILESOB(O)O.OB(O)O.OB(O)O.[Li+].[Li+].[O-]B([O-])O
InChIInChI=1S/3BH3O3.BHO3.2Li/c4*2-1(3)4;;/h3*2-4H;2H;;/q;;;-2;2*+1
InChIKeyAMUJFVCOMQMFIE-UHFFFAOYSA-N
MW259.20 g/mol
LogP-15.46
Rot. Bonds

About dilithium;boric acid;hydrogen borate

dilithium;boric acid;hydrogen borate (PubChem CID 157164950) has the molecular formula H10B4Li2O12 and a molecular weight of 259.20 g/mol. Its IUPAC name is dilithium;boric acid;hydrogen borate.

Molecular Properties

Compound Namedilithium;boric acid;hydrogen borate
PubChem CID157164950
Molecular FormulaH10B4Li2O12
Molecular Weight259.20 g/mol
Exact Mass260.09
IUPAC Namedilithium;boric acid;hydrogen borate
SMILESOB(O)O.OB(O)O.OB(O)O.[Li+].[Li+].[O-]B([O-])O
InChIInChI=1S/3BH3O3.BHO3.2Li/c4*2-1(3)4;;/h3*2-4H;2H;;/q;;;-2;2*+1
InChIKeyAMUJFVCOMQMFIE-UHFFFAOYSA-N
XLogP-15.46
TPSA248.42 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500259.20
LogP ≤ 5-15.46
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

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 dilithium;boric acid;hydrogen borate?
The IUPAC name of dilithium;boric acid;hydrogen borate (CID 157164950) is dilithium;boric acid;hydrogen borate.
What is the SMILES notation for dilithium;boric acid;hydrogen borate?
The canonical SMILES for dilithium;boric acid;hydrogen borate is OB(O)O.OB(O)O.OB(O)O.[Li+].[Li+].[O-]B([O-])O.
What is the InChIKey of dilithium;boric acid;hydrogen borate?
The InChIKey is AMUJFVCOMQMFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/3BH3O3.BHO3.2Li/c4*2-1(3)4;;/h3*2-4H;2H;;/q;;;-2;2*+1.
What are the key properties of dilithium;boric acid;hydrogen borate?
dilithium;boric acid;hydrogen borate has a molecular weight of 259.20 g/mol, XLogP of -15.46, 0 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;boric acid;hydrogen borate is sourced from PubChem (CID 157164950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).