octakis(tetramethylazanium);disilicate;tetrahydrate

C32H104N8O12Si2 — CID 158179372

IUPACoctakis(tetramethylazanium);disilicate;tetrahydrate
SMILESC[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.O.O.O.O.[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/8C4H12N.2O4Si.4H2O/c10*1-5(2,3)4;;;;/h8*1-4H3;;;4*1H2/q8*+1;2*-4;;;;
InChIKeyFYJUAPVFXWEWCP-UHFFFAOYSA-N
MW849.40 g/mol
LogP-10.99
Rot. Bonds

About octakis(tetramethylazanium);disilicate;tetrahydrate

octakis(tetramethylazanium);disilicate;tetrahydrate (PubChem CID 158179372) has the molecular formula C32H104N8O12Si2 and a molecular weight of 849.40 g/mol. Its IUPAC name is octakis(tetramethylazanium);disilicate;tetrahydrate.

Molecular Properties

Compound Nameoctakis(tetramethylazanium);disilicate;tetrahydrate
PubChem CID158179372
Molecular FormulaC32H104N8O12Si2
Molecular Weight849.40 g/mol
Exact Mass848.73
IUPAC Nameoctakis(tetramethylazanium);disilicate;tetrahydrate
SMILESC[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.O.O.O.O.[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/8C4H12N.2O4Si.4H2O/c10*1-5(2,3)4;;;;/h8*1-4H3;;;4*1H2/q8*+1;2*-4;;;;
InChIKeyFYJUAPVFXWEWCP-UHFFFAOYSA-N
XLogP-10.99
TPSA310.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500849.40
LogP ≤ 5-10.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of octakis(tetramethylazanium);disilicate;tetrahydrate?
The IUPAC name of octakis(tetramethylazanium);disilicate;tetrahydrate (CID 158179372) is octakis(tetramethylazanium);disilicate;tetrahydrate.
What is the SMILES notation for octakis(tetramethylazanium);disilicate;tetrahydrate?
The canonical SMILES for octakis(tetramethylazanium);disilicate;tetrahydrate is C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.O.O.O.O.[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].
What is the InChIKey of octakis(tetramethylazanium);disilicate;tetrahydrate?
The InChIKey is FYJUAPVFXWEWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/8C4H12N.2O4Si.4H2O/c10*1-5(2,3)4;;;;/h8*1-4H3;;;4*1H2/q8*+1;2*-4;;;;.
What are the key properties of octakis(tetramethylazanium);disilicate;tetrahydrate?
octakis(tetramethylazanium);disilicate;tetrahydrate has a molecular weight of 849.40 g/mol, XLogP of -10.99, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for octakis(tetramethylazanium);disilicate;tetrahydrate is sourced from PubChem (CID 158179372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).