hexamagnesium;tetraborate

B4Mg6O12 — CID 19981642

IUPAChexamagnesium;tetraborate
SMILES[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-]
InChIInChI=1S/4BO3.6Mg/c4*2-1(3)4;;;;;;/q4*-3;6*+2
InChIKeyNTFWINCUXYNHSF-UHFFFAOYSA-N
MW381.07 g/mol
LogP-18.08
Rot. Bonds

About hexamagnesium;tetraborate

hexamagnesium;tetraborate (PubChem CID 19981642) has the molecular formula B4Mg6O12 and a molecular weight of 381.07 g/mol. Its IUPAC name is hexamagnesium;tetraborate.

Molecular Properties

Compound Namehexamagnesium;tetraborate
PubChem CID19981642
Molecular FormulaB4Mg6O12
Molecular Weight381.07 g/mol
Exact Mass379.89
IUPAC Namehexamagnesium;tetraborate
SMILES[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-]
InChIInChI=1S/4BO3.6Mg/c4*2-1(3)4;;;;;;/q4*-3;6*+2
InChIKeyNTFWINCUXYNHSF-UHFFFAOYSA-N
XLogP-18.08
TPSA276.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.07
LogP ≤ 5-18.08
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;tetraborate?
The IUPAC name of hexamagnesium;tetraborate (CID 19981642) is hexamagnesium;tetraborate.
What is the SMILES notation for hexamagnesium;tetraborate?
The canonical SMILES for hexamagnesium;tetraborate is [Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].
What is the InChIKey of hexamagnesium;tetraborate?
The InChIKey is NTFWINCUXYNHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/4BO3.6Mg/c4*2-1(3)4;;;;;;/q4*-3;6*+2.
What are the key properties of hexamagnesium;tetraborate?
hexamagnesium;tetraborate has a molecular weight of 381.07 g/mol, XLogP of -18.08, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for hexamagnesium;tetraborate is sourced from PubChem (CID 19981642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).