tetrakis(indium(3+));trisilicate

In4O12Si3 — CID 161415697

IUPACtetrakis(indium(3+));trisilicate
SMILES[In+3].[In+3].[In+3].[In+3].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/4In.3O4Si/c;;;;3*1-5(2,3)4/q4*+3;3*-4
InChIKeyVWBBPBJPKYGOIT-UHFFFAOYSA-N
MW735.52 g/mol
LogP-16.93
Rot. Bonds

About tetrakis(indium(3+));trisilicate

tetrakis(indium(3+));trisilicate (PubChem CID 161415697) has the molecular formula In4O12Si3 and a molecular weight of 735.52 g/mol. Its IUPAC name is tetrakis(indium(3+));trisilicate.

Molecular Properties

Compound Nametetrakis(indium(3+));trisilicate
PubChem CID161415697
Molecular FormulaIn4O12Si3
Molecular Weight735.52 g/mol
Exact Mass735.49
IUPAC Nametetrakis(indium(3+));trisilicate
SMILES[In+3].[In+3].[In+3].[In+3].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/4In.3O4Si/c;;;;3*1-5(2,3)4/q4*+3;3*-4
InChIKeyVWBBPBJPKYGOIT-UHFFFAOYSA-N
XLogP-16.93
TPSA276.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.52
LogP ≤ 5-16.93
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 tetrakis(indium(3+));trisilicate?
The IUPAC name of tetrakis(indium(3+));trisilicate (CID 161415697) is tetrakis(indium(3+));trisilicate.
What is the SMILES notation for tetrakis(indium(3+));trisilicate?
The canonical SMILES for tetrakis(indium(3+));trisilicate is [In+3].[In+3].[In+3].[In+3].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].
What is the InChIKey of tetrakis(indium(3+));trisilicate?
The InChIKey is VWBBPBJPKYGOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/4In.3O4Si/c;;;;3*1-5(2,3)4/q4*+3;3*-4.
What are the key properties of tetrakis(indium(3+));trisilicate?
tetrakis(indium(3+));trisilicate has a molecular weight of 735.52 g/mol, XLogP of -16.93, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(indium(3+));trisilicate is sourced from PubChem (CID 161415697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).