calcium;magnesium;hydride;hexahydrate;trihydrochloride

H19CaCl3MgO6 — CID 174546075

IUPACcalcium;magnesium;hydride;hexahydrate;trihydrochloride
SMILESCl.Cl.Cl.O.O.O.O.O.O.[Ca+2].[H-].[H-].[H-].[H-].[Mg+2]
InChIInChI=1S/Ca.3ClH.Mg.6H2O.4H/h;3*1H;;6*1H2;;;;/q+2;;;;+2;;;;;;;4*-1
InChIKeyGOULLVBPYQPOCP-UHFFFAOYSA-N
MW285.89 g/mol
LogP-3.99
Rot. Bonds

About calcium;magnesium;hydride;hexahydrate;trihydrochloride

calcium;magnesium;hydride;hexahydrate;trihydrochloride (PubChem CID 174546075) has the molecular formula H19CaCl3MgO6 and a molecular weight of 285.89 g/mol. Its IUPAC name is calcium;magnesium;hydride;hexahydrate;trihydrochloride.

Molecular Properties

Compound Namecalcium;magnesium;hydride;hexahydrate;trihydrochloride
PubChem CID174546075
Molecular FormulaH19CaCl3MgO6
Molecular Weight285.89 g/mol
Exact Mass283.97
IUPAC Namecalcium;magnesium;hydride;hexahydrate;trihydrochloride
SMILESCl.Cl.Cl.O.O.O.O.O.O.[Ca+2].[H-].[H-].[H-].[H-].[Mg+2]
InChIInChI=1S/Ca.3ClH.Mg.6H2O.4H/h;3*1H;;6*1H2;;;;/q+2;;;;+2;;;;;;;4*-1
InChIKeyGOULLVBPYQPOCP-UHFFFAOYSA-N
XLogP-3.99
TPSA189.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.89
LogP ≤ 5-3.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of calcium;magnesium;hydride;hexahydrate;trihydrochloride?
The IUPAC name of calcium;magnesium;hydride;hexahydrate;trihydrochloride (CID 174546075) is calcium;magnesium;hydride;hexahydrate;trihydrochloride.
What is the SMILES notation for calcium;magnesium;hydride;hexahydrate;trihydrochloride?
The canonical SMILES for calcium;magnesium;hydride;hexahydrate;trihydrochloride is Cl.Cl.Cl.O.O.O.O.O.O.[Ca+2].[H-].[H-].[H-].[H-].[Mg+2].
What is the InChIKey of calcium;magnesium;hydride;hexahydrate;trihydrochloride?
The InChIKey is GOULLVBPYQPOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.3ClH.Mg.6H2O.4H/h;3*1H;;6*1H2;;;;/q+2;;;;+2;;;;;;;4*-1.
What are the key properties of calcium;magnesium;hydride;hexahydrate;trihydrochloride?
calcium;magnesium;hydride;hexahydrate;trihydrochloride has a molecular weight of 285.89 g/mol, XLogP of -3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;magnesium;hydride;hexahydrate;trihydrochloride is sourced from PubChem (CID 174546075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).