lithium dihydrogen borate

H2BLiO3 — CID 71774814

IUPAClithium dihydrogen borate
SMILES[Li+].[O-]B(O)O
InChIInChI=1S/BH2O3.Li/c2-1(3)4;/h2-3H;/q-1;+1
InChIKeyNIIFDLGMJJFCFY-UHFFFAOYSA-N
MW67.77 g/mol
LogP-5.68
Rot. Bonds

About lithium dihydrogen borate

lithium dihydrogen borate (PubChem CID 71774814) has the molecular formula H2BLiO3 and a molecular weight of 67.77 g/mol. Its IUPAC name is lithium dihydrogen borate.

Molecular Properties

Compound Namelithium dihydrogen borate
PubChem CID71774814
Molecular FormulaH2BLiO3
Molecular Weight67.77 g/mol
Exact Mass68.03
IUPAC Namelithium dihydrogen borate
SMILES[Li+].[O-]B(O)O
InChIInChI=1S/BH2O3.Li/c2-1(3)4;/h2-3H;/q-1;+1
InChIKeyNIIFDLGMJJFCFY-UHFFFAOYSA-N
XLogP-5.68
TPSA63.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50067.77
LogP ≤ 5-5.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 lithium dihydrogen borate?
The IUPAC name of lithium dihydrogen borate (CID 71774814) is lithium dihydrogen borate.
What is the SMILES notation for lithium dihydrogen borate?
The canonical SMILES for lithium dihydrogen borate is [Li+].[O-]B(O)O.
What is the InChIKey of lithium dihydrogen borate?
The InChIKey is NIIFDLGMJJFCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/BH2O3.Li/c2-1(3)4;/h2-3H;/q-1;+1.
What are the key properties of lithium dihydrogen borate?
lithium dihydrogen borate has a molecular weight of 67.77 g/mol, XLogP of -5.68, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium dihydrogen borate is sourced from PubChem (CID 71774814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).