hexamagnesium;trisilicate

Mg6O12Si3 — CID 53249322

IUPAChexamagnesium;trisilicate
SMILES[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/6Mg.3O4Si/c;;;;;;3*1-5(2,3)4/q6*+2;3*-4
InChIKeyNPUOZEMYDHAAMG-UHFFFAOYSA-N
MW422.08 g/mol
LogP-17.70
Rot. Bonds

About hexamagnesium;trisilicate

hexamagnesium;trisilicate (PubChem CID 53249322) has the molecular formula Mg6O12Si3 and a molecular weight of 422.08 g/mol. Its IUPAC name is hexamagnesium;trisilicate.

Molecular Properties

Compound Namehexamagnesium;trisilicate
PubChem CID53249322
Molecular FormulaMg6O12Si3
Molecular Weight422.08 g/mol
Exact Mass419.78
IUPAC Namehexamagnesium;trisilicate
SMILES[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/6Mg.3O4Si/c;;;;;;3*1-5(2,3)4/q6*+2;3*-4
InChIKeyNPUOZEMYDHAAMG-UHFFFAOYSA-N
XLogP-17.70
TPSA276.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.08
LogP ≤ 5-17.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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 hexamagnesium;trisilicate?
The IUPAC name of hexamagnesium;trisilicate (CID 53249322) is hexamagnesium;trisilicate.
What is the SMILES notation for hexamagnesium;trisilicate?
The canonical SMILES for hexamagnesium;trisilicate is [Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].
What is the InChIKey of hexamagnesium;trisilicate?
The InChIKey is NPUOZEMYDHAAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/6Mg.3O4Si/c;;;;;;3*1-5(2,3)4/q6*+2;3*-4.
What are the key properties of hexamagnesium;trisilicate?
hexamagnesium;trisilicate has a molecular weight of 422.08 g/mol, XLogP of -17.70, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for hexamagnesium;trisilicate is sourced from PubChem (CID 53249322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).