calcium;lithium;boric acid;hydride

H6BCaLiO3 — CID 173271549

IUPACcalcium;lithium;boric acid;hydride
SMILESOB(O)O.[Ca+2].[H-].[H-].[H-].[Li+]
InChIInChI=1S/BH3O3.Ca.Li.3H/c2-1(3)4;;;;;/h2-4H;;;;;/q;+2;+1;3*-1
InChIKeyNXUJRNOSFKOFMZ-UHFFFAOYSA-N
MW111.88 g/mol
LogP-5.09
Rot. Bonds

About calcium;lithium;boric acid;hydride

calcium;lithium;boric acid;hydride (PubChem CID 173271549) has the molecular formula H6BCaLiO3 and a molecular weight of 111.88 g/mol. Its IUPAC name is calcium;lithium;boric acid;hydride.

Molecular Properties

Compound Namecalcium;lithium;boric acid;hydride
PubChem CID173271549
Molecular FormulaH6BCaLiO3
Molecular Weight111.88 g/mol
Exact Mass112.02
IUPAC Namecalcium;lithium;boric acid;hydride
SMILESOB(O)O.[Ca+2].[H-].[H-].[H-].[Li+]
InChIInChI=1S/BH3O3.Ca.Li.3H/c2-1(3)4;;;;;/h2-4H;;;;;/q;+2;+1;3*-1
InChIKeyNXUJRNOSFKOFMZ-UHFFFAOYSA-N
XLogP-5.09
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.88
LogP ≤ 5-5.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dopentacontalithium;boric acid;hydride
CID 173414806
lithium;boric acid;hydride;λ2-stannane
CID 173259149
calcium;boric acid;hydride;hydrobromide
CID 175516722
lithium;boric acid;copper;hydride
CID 175148858
calcium;boric acid;hydride;yttrium
CID 173121923
calcium;magnesium;boric acid;hydride;manganese
CID 173076868
dilithium;sodium;boric acid;hydride;yttrium
CID 175358270
boric acid;molybdenum;silane
CID 173078881
disodium;boric acid;hydride
CID 173442706
sodium;boric acid;hydride
CID 173451798
boric acid
CID 173080807
sodium;boric acid;hydride;tetrahydrate
CID 173005468

Frequently Asked Questions

What is the IUPAC name of calcium;lithium;boric acid;hydride?
The IUPAC name of calcium;lithium;boric acid;hydride (CID 173271549) is calcium;lithium;boric acid;hydride.
What is the SMILES notation for calcium;lithium;boric acid;hydride?
The canonical SMILES for calcium;lithium;boric acid;hydride is OB(O)O.[Ca+2].[H-].[H-].[H-].[Li+].
What is the InChIKey of calcium;lithium;boric acid;hydride?
The InChIKey is NXUJRNOSFKOFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/BH3O3.Ca.Li.3H/c2-1(3)4;;;;;/h2-4H;;;;;/q;+2;+1;3*-1.
What are the key properties of calcium;lithium;boric acid;hydride?
calcium;lithium;boric acid;hydride has a molecular weight of 111.88 g/mol, XLogP of -5.09, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;lithium;boric acid;hydride is sourced from PubChem (CID 173271549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).