calcium;magnesium;barium(2+);hydride;trihydrate

H12BaCaMgO3 — CID 174696915

IUPACcalcium;magnesium;barium(2+);hydride;trihydrate
SMILESO.O.O.[Ba+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2]
InChIInChI=1S/Ba.Ca.Mg.3H2O.6H/h;;;3*1H2;;;;;;/q3*+2;;;;6*-1
InChIKeyIKIMPNHHPIVXGE-UHFFFAOYSA-N
MW261.80 g/mol
LogP-2.94
Rot. Bonds

About calcium;magnesium;barium(2+);hydride;trihydrate

calcium;magnesium;barium(2+);hydride;trihydrate (PubChem CID 174696915) has the molecular formula H12BaCaMgO3 and a molecular weight of 261.80 g/mol. Its IUPAC name is calcium;magnesium;barium(2+);hydride;trihydrate.

Molecular Properties

Compound Namecalcium;magnesium;barium(2+);hydride;trihydrate
PubChem CID174696915
Molecular FormulaH12BaCaMgO3
Molecular Weight261.80 g/mol
Exact Mass261.93
IUPAC Namecalcium;magnesium;barium(2+);hydride;trihydrate
SMILESO.O.O.[Ba+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2]
InChIInChI=1S/Ba.Ca.Mg.3H2O.6H/h;;;3*1H2;;;;;;/q3*+2;;;;6*-1
InChIKeyIKIMPNHHPIVXGE-UHFFFAOYSA-N
XLogP-2.94
TPSA94.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.80
LogP ≤ 5-2.94
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;barium(2+);hydride;trihydrate?
The IUPAC name of calcium;magnesium;barium(2+);hydride;trihydrate (CID 174696915) is calcium;magnesium;barium(2+);hydride;trihydrate.
What is the SMILES notation for calcium;magnesium;barium(2+);hydride;trihydrate?
The canonical SMILES for calcium;magnesium;barium(2+);hydride;trihydrate is O.O.O.[Ba+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2].
What is the InChIKey of calcium;magnesium;barium(2+);hydride;trihydrate?
The InChIKey is IKIMPNHHPIVXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.Ca.Mg.3H2O.6H/h;;;3*1H2;;;;;;/q3*+2;;;;6*-1.
What are the key properties of calcium;magnesium;barium(2+);hydride;trihydrate?
calcium;magnesium;barium(2+);hydride;trihydrate has a molecular weight of 261.80 g/mol, XLogP of -2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;magnesium;barium(2+);hydride;trihydrate is sourced from PubChem (CID 174696915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).