aluminum;calcium;magnesium;dioxosilane;tris(oxygen(2-))

AlCaMgO5Si+ — CID 158173910

IUPACaluminum;calcium;magnesium;dioxosilane;tris(oxygen(2-))
SMILESO=[Si]=O.[Al+3].[Ca+2].[Mg+2].[O-2].[O-2].[O-2]
InChIInChI=1S/Al.Ca.Mg.O2Si.3O/c;;;1-3-2;;;/q+3;2*+2;;3*-2
InChIKeyFXTUWXLSZJITNF-UHFFFAOYSA-N
MW199.45 g/mol
LogP-2.12
Rot. Bonds

About aluminum;calcium;magnesium;dioxosilane;tris(oxygen(2-))

aluminum;calcium;magnesium;dioxosilane;tris(oxygen(2-)) (PubChem CID 158173910) has the molecular formula AlCaMgO5Si+ and a molecular weight of 199.45 g/mol. Its IUPAC name is aluminum;calcium;magnesium;dioxosilane;tris(oxygen(2-)).

Molecular Properties

Compound Namealuminum;calcium;magnesium;dioxosilane;tris(oxygen(2-))
PubChem CID158173910
Molecular FormulaAlCaMgO5Si+
Molecular Weight199.45 g/mol
Exact Mass198.88
IUPAC Namealuminum;calcium;magnesium;dioxosilane;tris(oxygen(2-))
SMILESO=[Si]=O.[Al+3].[Ca+2].[Mg+2].[O-2].[O-2].[O-2]
InChIInChI=1S/Al.Ca.Mg.O2Si.3O/c;;;1-3-2;;;/q+3;2*+2;;3*-2
InChIKeyFXTUWXLSZJITNF-UHFFFAOYSA-N
XLogP-2.12
TPSA119.64 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.45
LogP ≤ 5-2.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aluminum;calcium;magnesium;dioxosilane;tris(oxygen(2-))?
The IUPAC name of aluminum;calcium;magnesium;dioxosilane;tris(oxygen(2-)) (CID 158173910) is aluminum;calcium;magnesium;dioxosilane;tris(oxygen(2-)).
What is the SMILES notation for aluminum;calcium;magnesium;dioxosilane;tris(oxygen(2-))?
The canonical SMILES for aluminum;calcium;magnesium;dioxosilane;tris(oxygen(2-)) is O=[Si]=O.[Al+3].[Ca+2].[Mg+2].[O-2].[O-2].[O-2].
What is the InChIKey of aluminum;calcium;magnesium;dioxosilane;tris(oxygen(2-))?
The InChIKey is FXTUWXLSZJITNF-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.Ca.Mg.O2Si.3O/c;;;1-3-2;;;/q+3;2*+2;;3*-2.
What are the key properties of aluminum;calcium;magnesium;dioxosilane;tris(oxygen(2-))?
aluminum;calcium;magnesium;dioxosilane;tris(oxygen(2-)) has a molecular weight of 199.45 g/mol, XLogP of -2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;calcium;magnesium;dioxosilane;tris(oxygen(2-)) is sourced from PubChem (CID 158173910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).