lithium;hydron;borate

H2BLiO3 — CID 173006670

IUPAClithium;hydron;borate
SMILES[H+].[H+].[Li+].[O-]B([O-])[O-]
InChIInChI=1S/BO3.Li/c2-1(3)4;/q-3;+1/p+2
InChIKeyUCWHWXYIYKSILX-UHFFFAOYSA-P
MW67.77 g/mol
LogP-6.72
Rot. Bonds

About lithium;hydron;borate

lithium;hydron;borate (PubChem CID 173006670) has the molecular formula H2BLiO3 and a molecular weight of 67.77 g/mol. Its IUPAC name is lithium;hydron;borate.

Molecular Properties

Compound Namelithium;hydron;borate
PubChem CID173006670
Molecular FormulaH2BLiO3
Molecular Weight67.77 g/mol
Exact Mass68.03
IUPAC Namelithium;hydron;borate
SMILES[H+].[H+].[Li+].[O-]B([O-])[O-]
InChIInChI=1S/BO3.Li/c2-1(3)4;/q-3;+1/p+2
InChIKeyUCWHWXYIYKSILX-UHFFFAOYSA-P
XLogP-6.72
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50067.77
LogP ≤ 5-6.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

calcium;lithium;borate
CID 139040925
lithium;nickel(2+);borate
CID 174688096
trisodium;hydron;diborate
CID 173221263
lithium;strontium;terbium(3+);diborate
CID 174824289
nonacalcium;pentalithium;heptaborate;difluoride
CID 139139491
dilithium;sodium;yttrium(3+);diborate
CID 175358271
trisulfanium;borate
CID 22561123
dialuminum diborate
CID 22359065
dibismuth diborate
CID 159089298
tetraborate;pentahydrate
CID 18463322
tetrakis(ytterbium(3+));tetraborate
CID 158376786
hexamagnesium;tetraborate
CID 19981642

Frequently Asked Questions

What is the IUPAC name of lithium;hydron;borate?
The IUPAC name of lithium;hydron;borate (CID 173006670) is lithium;hydron;borate.
What is the SMILES notation for lithium;hydron;borate?
The canonical SMILES for lithium;hydron;borate is [H+].[H+].[Li+].[O-]B([O-])[O-].
What is the InChIKey of lithium;hydron;borate?
The InChIKey is UCWHWXYIYKSILX-UHFFFAOYSA-P. The full InChI is InChI=1S/BO3.Li/c2-1(3)4;/q-3;+1/p+2.
What are the key properties of lithium;hydron;borate?
lithium;hydron;borate has a molecular weight of 67.77 g/mol, XLogP of -6.72, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydron;borate is sourced from PubChem (CID 173006670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).