CID 173147546

H16Al4Ca4Mg4O6Si4 — CID 173147546

IUPAC—
SMILES[Al+3].[Al+3].[Al+3].[Al+3].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Si].[Si].[Si].[Si]
InChIInChI=1S/4Al.4Ca.4Mg.6O.4Si.16H/q4*+3;8*+2;6*-2;;;;;16*-1
InChIKeyOYPBAZNKJBBELL-UHFFFAOYSA-N
MW589.93 g/mol
LogP-5.01
Rot. Bonds

About CID 173147546

CID 173147546 (PubChem CID 173147546) has the molecular formula H16Al4Ca4Mg4O6Si4 and a molecular weight of 589.93 g/mol.

Molecular Properties

Compound NameCID 173147546
PubChem CID173147546
Molecular FormulaH16Al4Ca4Mg4O6Si4
Molecular Weight589.93 g/mol
Exact Mass587.72
IUPAC Name—
SMILES[Al+3].[Al+3].[Al+3].[Al+3].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Si].[Si].[Si].[Si]
InChIInChI=1S/4Al.4Ca.4Mg.6O.4Si.16H/q4*+3;8*+2;6*-2;;;;;16*-1
InChIKeyOYPBAZNKJBBELL-UHFFFAOYSA-N
XLogP-5.01
TPSA171.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.93
LogP ≤ 5-5.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 173418327
aluminum;calcium;magnesium;tris(oxygen(2-))
CID 158336999
magnesium;hydride;iron;molybdenum;silane
CID 174900596
calcium;magnesium;hydride;iron;oxygen(2-)
CID 173375700
calcium;magnesium;zinc;hydride;oxygen(2-)
CID 173079435
dialuminum;magnesium;hydride;tris(oxygen(2-));hydrate
CID 174806981
calcium;magnesium;potassium;hydride;silane
CID 174423771
CID 118856569
CID 118856569
dialuminum;magnesium;hydride
CID 19885588
CID 175033432
CID 175033432
calcium;magnesium;hydride;oxotitanium
CID 174871568
calcium;magnesium;azane;hydride;iron;silane;sulfane
CID 174528538

Frequently Asked Questions

What is the IUPAC name of CID 173147546?
The IUPAC name of CID 173147546 (CID 173147546) is not available.
What is the SMILES notation for CID 173147546?
The canonical SMILES for CID 173147546 is [Al+3].[Al+3].[Al+3].[Al+3].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Si].[Si].[Si].[Si].
What is the InChIKey of CID 173147546?
The InChIKey is OYPBAZNKJBBELL-UHFFFAOYSA-N. The full InChI is InChI=1S/4Al.4Ca.4Mg.6O.4Si.16H/q4*+3;8*+2;6*-2;;;;;16*-1.
What are the key properties of CID 173147546?
CID 173147546 has a molecular weight of 589.93 g/mol, XLogP of -5.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173147546 is sourced from PubChem (CID 173147546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).