tetrakis(scandium);tetrakis(yttrium(3+));trisilicate

O12Sc4Si3Y4 — CID 173099452

IUPACtetrakis(scandium);tetrakis(yttrium(3+));trisilicate
SMILES[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[Sc].[Sc].[Sc].[Sc].[Y+3].[Y+3].[Y+3].[Y+3]
InChIInChI=1S/3O4Si.4Sc.4Y/c3*1-5(2,3)4;;;;;;;;/q3*-4;;;;;4*+3
InChIKeyCSOATMGFWFXMAZ-UHFFFAOYSA-N
MW811.69 g/mol
LogP-15.43
Rot. Bonds

About tetrakis(scandium);tetrakis(yttrium(3+));trisilicate

tetrakis(scandium);tetrakis(yttrium(3+));trisilicate (PubChem CID 173099452) has the molecular formula O12Sc4Si3Y4 and a molecular weight of 811.69 g/mol. Its IUPAC name is tetrakis(scandium);tetrakis(yttrium(3+));trisilicate.

Molecular Properties

Compound Nametetrakis(scandium);tetrakis(yttrium(3+));trisilicate
PubChem CID173099452
Molecular FormulaO12Sc4Si3Y4
Molecular Weight811.69 g/mol
Exact Mass811.32
IUPAC Nametetrakis(scandium);tetrakis(yttrium(3+));trisilicate
SMILES[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[Sc].[Sc].[Sc].[Sc].[Y+3].[Y+3].[Y+3].[Y+3]
InChIInChI=1S/3O4Si.4Sc.4Y/c3*1-5(2,3)4;;;;;;;;/q3*-4;;;;;4*+3
InChIKeyCSOATMGFWFXMAZ-UHFFFAOYSA-N
XLogP-15.43
TPSA276.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.69
LogP ≤ 5-15.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze tetrakis(scandium);tetrakis(yttrium(3+));trisilicate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

holmium(3+);yttrium(3+);silicate
CID 160915562
gadolinium(3+);lutetium(3+);yttrium(3+);silicate
CID 161065175
dodecacopper;hexasilicate
CID 158252075
tetrakis(indium(3+));trisilicate
CID 161415697
platinum(4+) silicate
CID 173045404
disodium;silicate
CID 18757116
lithium;iron(3+);silicate
CID 173022342
azanium;copper;silicate
CID 159705008
dimagnesium;silicate;tetrahydrate
CID 175202135
copper;strontium;silicate
CID 174842958
dicopper;bis(cobalt(2+));disilicate
CID 174939182
calcium;magnesium;silicate
CID 21388751

Frequently Asked Questions

What is the IUPAC name of tetrakis(scandium);tetrakis(yttrium(3+));trisilicate?
The IUPAC name of tetrakis(scandium);tetrakis(yttrium(3+));trisilicate (CID 173099452) is tetrakis(scandium);tetrakis(yttrium(3+));trisilicate.
What is the SMILES notation for tetrakis(scandium);tetrakis(yttrium(3+));trisilicate?
The canonical SMILES for tetrakis(scandium);tetrakis(yttrium(3+));trisilicate is [O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[Sc].[Sc].[Sc].[Sc].[Y+3].[Y+3].[Y+3].[Y+3].
What is the InChIKey of tetrakis(scandium);tetrakis(yttrium(3+));trisilicate?
The InChIKey is CSOATMGFWFXMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3O4Si.4Sc.4Y/c3*1-5(2,3)4;;;;;;;;/q3*-4;;;;;4*+3.
What are the key properties of tetrakis(scandium);tetrakis(yttrium(3+));trisilicate?
tetrakis(scandium);tetrakis(yttrium(3+));trisilicate has a molecular weight of 811.69 g/mol, XLogP of -15.43, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(scandium);tetrakis(yttrium(3+));trisilicate is sourced from PubChem (CID 173099452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).