calcium;lithium;borate

BCaLiO3 — CID 139040925

IUPACcalcium;lithium;borate
SMILES[Ca+2].[Li+].[O-]B([O-])[O-]
InChIInChI=1S/BO3.Ca.Li/c2-1(3)4;;/q-3;+2;+1
InChIKeyMEQOSCYFKJPQKH-UHFFFAOYSA-N
MW105.83 g/mol
LogP-7.32
Rot. Bonds

About calcium;lithium;borate

calcium;lithium;borate (PubChem CID 139040925) has the molecular formula BCaLiO3 and a molecular weight of 105.83 g/mol. Its IUPAC name is calcium;lithium;borate.

Molecular Properties

Compound Namecalcium;lithium;borate
PubChem CID139040925
Molecular FormulaBCaLiO3
Molecular Weight105.83 g/mol
Exact Mass105.97
IUPAC Namecalcium;lithium;borate
SMILES[Ca+2].[Li+].[O-]B([O-])[O-]
InChIInChI=1S/BO3.Ca.Li/c2-1(3)4;;/q-3;+2;+1
InChIKeyMEQOSCYFKJPQKH-UHFFFAOYSA-N
XLogP-7.32
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.83
LogP ≤ 5-7.32
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

nonacalcium;pentalithium;heptaborate;difluoride
CID 139139491
lithium;hydron;borate
CID 173006670
lithium;nickel(2+);borate
CID 174688096
calcium;lanthanum(3+);borate;hydrate
CID 172832291
lithium;strontium;terbium(3+);diborate
CID 174824289
dilithium;sodium;yttrium(3+);diborate
CID 175358271
trisulfanium;borate
CID 22561123
tetraborate;pentahydrate
CID 18463322
dibismuth diborate
CID 159089298
dialuminum diborate
CID 22359065
tetrakis(ytterbium(3+));tetraborate
CID 158376786
hexamagnesium;tetraborate
CID 19981642

Frequently Asked Questions

What is the IUPAC name of calcium;lithium;borate?
The IUPAC name of calcium;lithium;borate (CID 139040925) is calcium;lithium;borate.
What is the SMILES notation for calcium;lithium;borate?
The canonical SMILES for calcium;lithium;borate is [Ca+2].[Li+].[O-]B([O-])[O-].
What is the InChIKey of calcium;lithium;borate?
The InChIKey is MEQOSCYFKJPQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/BO3.Ca.Li/c2-1(3)4;;/q-3;+2;+1.
What are the key properties of calcium;lithium;borate?
calcium;lithium;borate has a molecular weight of 105.83 g/mol, XLogP of -7.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;lithium;borate is sourced from PubChem (CID 139040925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).