calcium;bis(barium(2+));hydride;hydrochloride;hydroiodide

H8Ba2CaClI — CID 174821541

IUPACcalcium;bis(barium(2+));hydride;hydrochloride;hydroiodide
SMILESCl.I.[Ba+2].[Ba+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-]
InChIInChI=1S/2Ba.Ca.ClH.HI.6H/h;;;2*1H;;;;;;/q3*+2;;;6*-1
InChIKeyMGFYGPMJTAIEOT-UHFFFAOYSA-N
MW485.15 g/mol
LogP0.57
Rot. Bonds

About calcium;bis(barium(2+));hydride;hydrochloride;hydroiodide

calcium;bis(barium(2+));hydride;hydrochloride;hydroiodide (PubChem CID 174821541) has the molecular formula H8Ba2CaClI and a molecular weight of 485.15 g/mol. Its IUPAC name is calcium;bis(barium(2+));hydride;hydrochloride;hydroiodide.

Molecular Properties

Compound Namecalcium;bis(barium(2+));hydride;hydrochloride;hydroiodide
PubChem CID174821541
Molecular FormulaH8Ba2CaClI
Molecular Weight485.15 g/mol
Exact Mass485.71
IUPAC Namecalcium;bis(barium(2+));hydride;hydrochloride;hydroiodide
SMILESCl.I.[Ba+2].[Ba+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-]
InChIInChI=1S/2Ba.Ca.ClH.HI.6H/h;;;2*1H;;;;;;/q3*+2;;;6*-1
InChIKeyMGFYGPMJTAIEOT-UHFFFAOYSA-N
XLogP0.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.15
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of calcium;bis(barium(2+));hydride;hydrochloride;hydroiodide?
The IUPAC name of calcium;bis(barium(2+));hydride;hydrochloride;hydroiodide (CID 174821541) is calcium;bis(barium(2+));hydride;hydrochloride;hydroiodide.
What is the SMILES notation for calcium;bis(barium(2+));hydride;hydrochloride;hydroiodide?
The canonical SMILES for calcium;bis(barium(2+));hydride;hydrochloride;hydroiodide is Cl.I.[Ba+2].[Ba+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].
What is the InChIKey of calcium;bis(barium(2+));hydride;hydrochloride;hydroiodide?
The InChIKey is MGFYGPMJTAIEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/2Ba.Ca.ClH.HI.6H/h;;;2*1H;;;;;;/q3*+2;;;6*-1.
What are the key properties of calcium;bis(barium(2+));hydride;hydrochloride;hydroiodide?
calcium;bis(barium(2+));hydride;hydrochloride;hydroiodide has a molecular weight of 485.15 g/mol, XLogP of 0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;bis(barium(2+));hydride;hydrochloride;hydroiodide is sourced from PubChem (CID 174821541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).