calcium;barium(2+);dioxido(oxo)silane;hydride

H2BaCaO3Si — CID 173168484

IUPACcalcium;barium(2+);dioxido(oxo)silane;hydride
SMILESO=[Si]([O-])[O-].[Ba+2].[Ca+2].[H-].[H-]
InChIInChI=1S/Ba.Ca.O3Si.2H/c;;1-4(2)3;;/q2*+2;-2;2*-1
InChIKeyBNEQOPHXWYVNIR-UHFFFAOYSA-N
MW255.51 g/mol
LogP-3.41
Rot. Bonds

About calcium;barium(2+);dioxido(oxo)silane;hydride

calcium;barium(2+);dioxido(oxo)silane;hydride (PubChem CID 173168484) has the molecular formula H2BaCaO3Si and a molecular weight of 255.51 g/mol. Its IUPAC name is calcium;barium(2+);dioxido(oxo)silane;hydride.

Molecular Properties

Compound Namecalcium;barium(2+);dioxido(oxo)silane;hydride
PubChem CID173168484
Molecular FormulaH2BaCaO3Si
Molecular Weight255.51 g/mol
Exact Mass255.85
IUPAC Namecalcium;barium(2+);dioxido(oxo)silane;hydride
SMILESO=[Si]([O-])[O-].[Ba+2].[Ca+2].[H-].[H-]
InChIInChI=1S/Ba.Ca.O3Si.2H/c;;1-4(2)3;;/q2*+2;-2;2*-1
InChIKeyBNEQOPHXWYVNIR-UHFFFAOYSA-N
XLogP-3.41
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.51
LogP ≤ 5-3.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tricalcium;bis(dioxido(oxo)silane);hydride
CID 22138181
dicalcium;disodium;dioxido(oxo)silane;hydride
CID 173147864
dicalcium;dimagnesium;tris(dioxido(oxo)silane);hydride;bis(iron(3+))
CID 173371231
beryllium;calcium;dioxido(oxo)silane
CID 18615796
CID 22495127
CID 22495127
aluminum;calcium;tetrakis(dioxido(oxo)silane);iron(3+)
CID 173301986
CID 23043455
CID 23043455
potassium;alumane;tris(dioxido(oxo)silane);hydride
CID 139597229
bis(dioxido(oxo)silane);germanium(4+)
CID 91868461
dioxido(oxo)silane;rhodium(2+)
CID 19598913
bis(dioxido(oxo)silane);molybdenum(4+)
CID 18000361
dioxido(oxo)silane;niobium(2+)
CID 19104530

Frequently Asked Questions

What is the IUPAC name of calcium;barium(2+);dioxido(oxo)silane;hydride?
The IUPAC name of calcium;barium(2+);dioxido(oxo)silane;hydride (CID 173168484) is calcium;barium(2+);dioxido(oxo)silane;hydride.
What is the SMILES notation for calcium;barium(2+);dioxido(oxo)silane;hydride?
The canonical SMILES for calcium;barium(2+);dioxido(oxo)silane;hydride is O=[Si]([O-])[O-].[Ba+2].[Ca+2].[H-].[H-].
What is the InChIKey of calcium;barium(2+);dioxido(oxo)silane;hydride?
The InChIKey is BNEQOPHXWYVNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.Ca.O3Si.2H/c;;1-4(2)3;;/q2*+2;-2;2*-1.
What are the key properties of calcium;barium(2+);dioxido(oxo)silane;hydride?
calcium;barium(2+);dioxido(oxo)silane;hydride has a molecular weight of 255.51 g/mol, XLogP of -3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;barium(2+);dioxido(oxo)silane;hydride is sourced from PubChem (CID 173168484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).