calcium;alumane;hydride;silicic acid;tantalum

H9AlCaO4SiTa — CID 173118128

IUPACcalcium;alumane;hydride;silicic acid;tantalum
SMILESO[Si](O)(O)O.[AlH3].[Ca+2].[H-].[H-].[Ta]
InChIInChI=1S/Al.Ca.H4O4Si.Ta.5H/c;;1-5(2,3)4;;;;;;/h;;1-4H;;;;;;/q;+2;;;;;;2*-1
InChIKeyGSSGUWRUYYFVNF-UHFFFAOYSA-N
MW349.16 g/mol
LogP-3.95
Rot. Bonds

About calcium;alumane;hydride;silicic acid;tantalum

calcium;alumane;hydride;silicic acid;tantalum (PubChem CID 173118128) has the molecular formula H9AlCaO4SiTa and a molecular weight of 349.16 g/mol. Its IUPAC name is calcium;alumane;hydride;silicic acid;tantalum.

Molecular Properties

Compound Namecalcium;alumane;hydride;silicic acid;tantalum
PubChem CID173118128
Molecular FormulaH9AlCaO4SiTa
Molecular Weight349.16 g/mol
Exact Mass348.92
IUPAC Namecalcium;alumane;hydride;silicic acid;tantalum
SMILESO[Si](O)(O)O.[AlH3].[Ca+2].[H-].[H-].[Ta]
InChIInChI=1S/Al.Ca.H4O4Si.Ta.5H/c;;1-5(2,3)4;;;;;;/h;;1-4H;;;;;;/q;+2;;;;;;2*-1
InChIKeyGSSGUWRUYYFVNF-UHFFFAOYSA-N
XLogP-3.95
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 5-3.95
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

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Frequently Asked Questions

What is the IUPAC name of calcium;alumane;hydride;silicic acid;tantalum?
The IUPAC name of calcium;alumane;hydride;silicic acid;tantalum (CID 173118128) is calcium;alumane;hydride;silicic acid;tantalum.
What is the SMILES notation for calcium;alumane;hydride;silicic acid;tantalum?
The canonical SMILES for calcium;alumane;hydride;silicic acid;tantalum is O[Si](O)(O)O.[AlH3].[Ca+2].[H-].[H-].[Ta].
What is the InChIKey of calcium;alumane;hydride;silicic acid;tantalum?
The InChIKey is GSSGUWRUYYFVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.Ca.H4O4Si.Ta.5H/c;;1-5(2,3)4;;;;;;/h;;1-4H;;;;;;/q;+2;;;;;;2*-1.
What are the key properties of calcium;alumane;hydride;silicic acid;tantalum?
calcium;alumane;hydride;silicic acid;tantalum has a molecular weight of 349.16 g/mol, XLogP of -3.95, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;alumane;hydride;silicic acid;tantalum is sourced from PubChem (CID 173118128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).