calcium;barium(2+);dihydroxide

H2BaCaO2+2 — CID 18435066

IUPACcalcium;barium(2+);dihydroxide
SMILES[Ba+2].[Ca+2].[OH-].[OH-]
InChIInChI=1S/Ba.Ca.2H2O/h;;2*1H2/q2*+2;;/p-2
InChIKeyNOGHAZNPTBWKLC-UHFFFAOYSA-L
MW211.42 g/mol
LogP-1.12
Rot. Bonds

About calcium;barium(2+);dihydroxide

calcium;barium(2+);dihydroxide (PubChem CID 18435066) has the molecular formula H2BaCaO2+2 and a molecular weight of 211.42 g/mol. Its IUPAC name is calcium;barium(2+);dihydroxide.

Molecular Properties

Compound Namecalcium;barium(2+);dihydroxide
PubChem CID18435066
Molecular FormulaH2BaCaO2+2
Molecular Weight211.42 g/mol
Exact Mass211.87
IUPAC Namecalcium;barium(2+);dihydroxide
SMILES[Ba+2].[Ca+2].[OH-].[OH-]
InChIInChI=1S/Ba.Ca.2H2O/h;;2*1H2/q2*+2;;/p-2
InChIKeyNOGHAZNPTBWKLC-UHFFFAOYSA-L
XLogP-1.12
TPSA60.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.42
LogP ≤ 5-1.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of calcium;barium(2+);dihydroxide?
The IUPAC name of calcium;barium(2+);dihydroxide (CID 18435066) is calcium;barium(2+);dihydroxide.
What is the SMILES notation for calcium;barium(2+);dihydroxide?
The canonical SMILES for calcium;barium(2+);dihydroxide is [Ba+2].[Ca+2].[OH-].[OH-].
What is the InChIKey of calcium;barium(2+);dihydroxide?
The InChIKey is NOGHAZNPTBWKLC-UHFFFAOYSA-L. The full InChI is InChI=1S/Ba.Ca.2H2O/h;;2*1H2/q2*+2;;/p-2.
What are the key properties of calcium;barium(2+);dihydroxide?
calcium;barium(2+);dihydroxide has a molecular weight of 211.42 g/mol, XLogP of -1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;barium(2+);dihydroxide is sourced from PubChem (CID 18435066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).