calcium;boric acid;hydride;yttrium

H5BCaO3Y — CID 173121923

IUPACcalcium;boric acid;hydride;yttrium
SMILESOB(O)O.[Ca+2].[H-].[H-].[Y]
InChIInChI=1S/BH3O3.Ca.Y.2H/c2-1(3)4;;;;/h2-4H;;;;/q;+2;;2*-1
InChIKeyCXMMHTZRTOKIQA-UHFFFAOYSA-N
MW192.83 g/mol
LogP-2.21
Rot. Bonds

About calcium;boric acid;hydride;yttrium

calcium;boric acid;hydride;yttrium (PubChem CID 173121923) has the molecular formula H5BCaO3Y and a molecular weight of 192.83 g/mol. Its IUPAC name is calcium;boric acid;hydride;yttrium.

Molecular Properties

Compound Namecalcium;boric acid;hydride;yttrium
PubChem CID173121923
Molecular FormulaH5BCaO3Y
Molecular Weight192.83 g/mol
Exact Mass192.90
IUPAC Namecalcium;boric acid;hydride;yttrium
SMILESOB(O)O.[Ca+2].[H-].[H-].[Y]
InChIInChI=1S/BH3O3.Ca.Y.2H/c2-1(3)4;;;;/h2-4H;;;;/q;+2;;2*-1
InChIKeyCXMMHTZRTOKIQA-UHFFFAOYSA-N
XLogP-2.21
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.83
LogP ≤ 5-2.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze calcium;boric acid;hydride;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

calcium;lithium;boric acid;hydride
CID 173271549
calcium;boric acid;hydride;hydrobromide
CID 175516722
boric acid;yttrium
CID 173395143
dilithium;sodium;boric acid;hydride;yttrium
CID 175358270
calcium;magnesium;boric acid;hydride;manganese
CID 173076868
dopentacontalithium;boric acid;hydride
CID 173414806
disodium;boric acid;hydride
CID 173442706
boric acid;molybdenum;silane
CID 173078881
sodium;boric acid;hydride
CID 173451798
boric acid
CID 173080807
lithium;boric acid;hydride;λ2-stannane
CID 173259149
sodium;boric acid;hydride;lanthanum
CID 174482949

Frequently Asked Questions

What is the IUPAC name of calcium;boric acid;hydride;yttrium?
The IUPAC name of calcium;boric acid;hydride;yttrium (CID 173121923) is calcium;boric acid;hydride;yttrium.
What is the SMILES notation for calcium;boric acid;hydride;yttrium?
The canonical SMILES for calcium;boric acid;hydride;yttrium is OB(O)O.[Ca+2].[H-].[H-].[Y].
What is the InChIKey of calcium;boric acid;hydride;yttrium?
The InChIKey is CXMMHTZRTOKIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/BH3O3.Ca.Y.2H/c2-1(3)4;;;;/h2-4H;;;;/q;+2;;2*-1.
What are the key properties of calcium;boric acid;hydride;yttrium?
calcium;boric acid;hydride;yttrium has a molecular weight of 192.83 g/mol, XLogP of -2.21, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;boric acid;hydride;yttrium is sourced from PubChem (CID 173121923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).