CID 71446647

H2Al3KO12Si3-9 — CID 71446647

IUPAC—
SMILES[Al].[Al].[Al].[K+].[O-][Si]([O-])(O)O.[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/3Al.K.H2O4Si.2O4Si/c;;;;3*1-5(2,3)4/h;;;;1-2H;;/q;;;+1;-2;2*-4
InChIKeyVXPSBPDLQCQBKO-UHFFFAOYSA-N
MW398.31 g/mol
LogP-18.28
Rot. Bonds

About CID 71446647

CID 71446647 (PubChem CID 71446647) has the molecular formula H2Al3KO12Si3-9 and a molecular weight of 398.31 g/mol.

Molecular Properties

Compound NameCID 71446647
PubChem CID71446647
Molecular FormulaH2Al3KO12Si3-9
Molecular Weight398.31 g/mol
Exact Mass397.80
IUPAC Name—
SMILES[Al].[Al].[Al].[K+].[O-][Si]([O-])(O)O.[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/3Al.K.H2O4Si.2O4Si/c;;;;3*1-5(2,3)4/h;;;;1-2H;;/q;;;+1;-2;2*-4
InChIKeyVXPSBPDLQCQBKO-UHFFFAOYSA-N
XLogP-18.28
TPSA271.06 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.31
LogP ≤ 5-18.28
H-Bond Donors ≤ 52
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 CID 71446647?
The IUPAC name of CID 71446647 (CID 71446647) is not available.
What is the SMILES notation for CID 71446647?
The canonical SMILES for CID 71446647 is [Al].[Al].[Al].[K+].[O-][Si]([O-])(O)O.[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].
What is the InChIKey of CID 71446647?
The InChIKey is VXPSBPDLQCQBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/3Al.K.H2O4Si.2O4Si/c;;;;3*1-5(2,3)4/h;;;;1-2H;;/q;;;+1;-2;2*-4.
What are the key properties of CID 71446647?
CID 71446647 has a molecular weight of 398.31 g/mol, XLogP of -18.28, 0 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71446647 is sourced from PubChem (CID 71446647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).