calcium;magnesium;barium(2+);hexahydroxide

H6BaCaMgO6 — CID 159543336

IUPACcalcium;magnesium;barium(2+);hexahydroxide
SMILES[Ba+2].[Ca+2].[Mg+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-]
InChIInChI=1S/Ba.Ca.Mg.6H2O/h;;;6*1H2/q3*+2;;;;;;/p-6
InChIKeyMEMJITDTVTVKRJ-UHFFFAOYSA-H
MW303.75 g/mol
LogP-2.20
Rot. Bonds

About calcium;magnesium;barium(2+);hexahydroxide

calcium;magnesium;barium(2+);hexahydroxide (PubChem CID 159543336) has the molecular formula H6BaCaMgO6 and a molecular weight of 303.75 g/mol. Its IUPAC name is calcium;magnesium;barium(2+);hexahydroxide.

Molecular Properties

Compound Namecalcium;magnesium;barium(2+);hexahydroxide
PubChem CID159543336
Molecular FormulaH6BaCaMgO6
Molecular Weight303.75 g/mol
Exact Mass303.87
IUPAC Namecalcium;magnesium;barium(2+);hexahydroxide
SMILES[Ba+2].[Ca+2].[Mg+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-]
InChIInChI=1S/Ba.Ca.Mg.6H2O/h;;;6*1H2/q3*+2;;;;;;/p-6
InChIKeyMEMJITDTVTVKRJ-UHFFFAOYSA-H
XLogP-2.20
TPSA180.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 5-2.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of calcium;magnesium;barium(2+);hexahydroxide?
The IUPAC name of calcium;magnesium;barium(2+);hexahydroxide (CID 159543336) is calcium;magnesium;barium(2+);hexahydroxide.
What is the SMILES notation for calcium;magnesium;barium(2+);hexahydroxide?
The canonical SMILES for calcium;magnesium;barium(2+);hexahydroxide is [Ba+2].[Ca+2].[Mg+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].
What is the InChIKey of calcium;magnesium;barium(2+);hexahydroxide?
The InChIKey is MEMJITDTVTVKRJ-UHFFFAOYSA-H. The full InChI is InChI=1S/Ba.Ca.Mg.6H2O/h;;;6*1H2/q3*+2;;;;;;/p-6.
What are the key properties of calcium;magnesium;barium(2+);hexahydroxide?
calcium;magnesium;barium(2+);hexahydroxide has a molecular weight of 303.75 g/mol, XLogP of -2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;magnesium;barium(2+);hexahydroxide is sourced from PubChem (CID 159543336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).