Vermiculite (Mg0.33(Mg2-3(Al0-1Fe0-1)0-1)(Si2.33-3.33Al0.67-1.67)(OH)2O10.4H2O)

H3AlFeMgO6Si-3 — CID 156593754

IUPAC—
SMILESO.O=[Si]([O-])[O-].[Al].[Fe].[Mg].[OH-].[O]
InChIInChI=1S/Al.Fe.Mg.O3Si.2H2O.O/c;;;1-4(2)3;;;/h;;;;2*1H2;/q;;;-2;;;/p-1
InChIKeyCLRQDEYEBLCJFZ-UHFFFAOYSA-M
MW234.24 g/mol
LogP-4.76
Rot. Bonds

About Vermiculite (Mg0.33(Mg2-3(Al0-1Fe0-1)0-1)(Si2.33-3.33Al0.67-1.67)(OH)2O10.4H2O)

Vermiculite (Mg0.33(Mg2-3(Al0-1Fe0-1)0-1)(Si2.33-3.33Al0.67-1.67)(OH)2O10.4H2O) (PubChem CID 156593754) has the molecular formula H3AlFeMgO6Si-3 and a molecular weight of 234.24 g/mol.

Molecular Properties

Compound NameVermiculite (Mg0.33(Mg2-3(Al0-1Fe0-1)0-1)(Si2.33-3.33Al0.67-1.67)(OH)2O10.4H2O)
PubChem CID156593754
Molecular FormulaH3AlFeMgO6Si-3
Molecular Weight234.24 g/mol
Exact Mass233.87
IUPAC Name—
SMILESO.O=[Si]([O-])[O-].[Al].[Fe].[Mg].[OH-].[O]
InChIInChI=1S/Al.Fe.Mg.O3Si.2H2O.O/c;;;1-4(2)3;;;/h;;;;2*1H2;/q;;;-2;;;/p-1
InChIKeyCLRQDEYEBLCJFZ-UHFFFAOYSA-M
XLogP-4.76
TPSA153.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 5-4.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 Vermiculite (Mg0.33(Mg2-3(Al0-1Fe0-1)0-1)(Si2.33-3.33Al0.67-1.67)(OH)2O10.4H2O)?
The IUPAC name of Vermiculite (Mg0.33(Mg2-3(Al0-1Fe0-1)0-1)(Si2.33-3.33Al0.67-1.67)(OH)2O10.4H2O) (CID 156593754) is not available.
What is the SMILES notation for Vermiculite (Mg0.33(Mg2-3(Al0-1Fe0-1)0-1)(Si2.33-3.33Al0.67-1.67)(OH)2O10.4H2O)?
The canonical SMILES for Vermiculite (Mg0.33(Mg2-3(Al0-1Fe0-1)0-1)(Si2.33-3.33Al0.67-1.67)(OH)2O10.4H2O) is O.O=[Si]([O-])[O-].[Al].[Fe].[Mg].[OH-].[O].
What is the InChIKey of Vermiculite (Mg0.33(Mg2-3(Al0-1Fe0-1)0-1)(Si2.33-3.33Al0.67-1.67)(OH)2O10.4H2O)?
The InChIKey is CLRQDEYEBLCJFZ-UHFFFAOYSA-M. The full InChI is InChI=1S/Al.Fe.Mg.O3Si.2H2O.O/c;;;1-4(2)3;;;/h;;;;2*1H2;/q;;;-2;;;/p-1.
What are the key properties of Vermiculite (Mg0.33(Mg2-3(Al0-1Fe0-1)0-1)(Si2.33-3.33Al0.67-1.67)(OH)2O10.4H2O)?
Vermiculite (Mg0.33(Mg2-3(Al0-1Fe0-1)0-1)(Si2.33-3.33Al0.67-1.67)(OH)2O10.4H2O) has a molecular weight of 234.24 g/mol, XLogP of -4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Vermiculite (Mg0.33(Mg2-3(Al0-1Fe0-1)0-1)(Si2.33-3.33Al0.67-1.67)(OH)2O10.4H2O) is sourced from PubChem (CID 156593754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).