CID 173181061

H7BBaLiO4Si — CID 173181061

IUPAC—
SMILESO[Si](O)(O)O.[B].[Ba+2].[H-].[H-].[H-].[Li+]
InChIInChI=1S/B.Ba.Li.H4O4Si.3H/c;;;1-5(2,3)4;;;/h;;;1-4H;;;/q;+2;+1;;3*-1
InChIKeyYRZHQYYIUPWHTP-UHFFFAOYSA-N
MW254.22 g/mol
LogP-6.03
Rot. Bonds

About CID 173181061

CID 173181061 (PubChem CID 173181061) has the molecular formula H7BBaLiO4Si and a molecular weight of 254.22 g/mol.

Molecular Properties

Compound NameCID 173181061
PubChem CID173181061
Molecular FormulaH7BBaLiO4Si
Molecular Weight254.22 g/mol
Exact Mass254.94
IUPAC Name—
SMILESO[Si](O)(O)O.[B].[Ba+2].[H-].[H-].[H-].[Li+]
InChIInChI=1S/B.Ba.Li.H4O4Si.3H/c;;;1-5(2,3)4;;;/h;;;1-4H;;;/q;+2;+1;;3*-1
InChIKeyYRZHQYYIUPWHTP-UHFFFAOYSA-N
XLogP-6.03
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 5-6.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

barium(2+);hydride;silicic acid;hydrofluoride
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CID 172994999
calcium;hydride;molybdenum;silicic acid
CID 175337137
lithium;sodium;alumane;hydride;silane;silicic acid
CID 175586546
magnesium;alumane;barium(2+);hydride;silicic acid;zinc
CID 173168834
silicic acid
CID 14942
calcium;sodium;strontium;alumane;barium(2+);hydride;silicic acid
CID 174693873
dimagnesium;alumane;hydride;silicic acid
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Frequently Asked Questions

What is the IUPAC name of CID 173181061?
The IUPAC name of CID 173181061 (CID 173181061) is not available.
What is the SMILES notation for CID 173181061?
The canonical SMILES for CID 173181061 is O[Si](O)(O)O.[B].[Ba+2].[H-].[H-].[H-].[Li+].
What is the InChIKey of CID 173181061?
The InChIKey is YRZHQYYIUPWHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/B.Ba.Li.H4O4Si.3H/c;;;1-5(2,3)4;;;/h;;;1-4H;;;/q;+2;+1;;3*-1.
What are the key properties of CID 173181061?
CID 173181061 has a molecular weight of 254.22 g/mol, XLogP of -6.03, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173181061 is sourced from PubChem (CID 173181061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).