Ptilolite

H10AlNaO15Si5 — CID 6335913

About Ptilolite

Ptilolite (PubChem CID 6335913) has the molecular formula H10AlNaO15Si5 and a molecular weight of 440.47 g/mol.

Molecular Properties

• Compound Name: Ptilolite
• PubChem CID: 6335913
• Molecular Formula: H10AlNaO15Si5
• Molecular Weight: 440.47 g/mol
• Exact Mass: 439.86
• IUPAC Name: —
• SMILES: O=[Si](O)O.O=[Si](O)O.O=[Si](O)O.O=[Si](O)O.O=[Si](O)O.[Al].[Na]
• InChI: InChI=1S/Al.Na.5H2O3Si/c;;5*1-4(2)3/h;;5*1-2H
• InChIKey: RMKJAAPVONZTMN-UHFFFAOYSA-N
• XLogP: -8.83
• TPSA: 287.65 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.47
LogP ≤ 5	-8.83
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Ptilolite?

The IUPAC name of Ptilolite (CID 6335913) is not available.

What is the SMILES notation for Ptilolite?

The canonical SMILES for Ptilolite is O=[Si](O)O.O=[Si](O)O.O=[Si](O)O.O=[Si](O)O.O=[Si](O)O.[Al].[Na].

What is the InChIKey of Ptilolite?

The InChIKey is RMKJAAPVONZTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.Na.5H2O3Si/c;;5*1-4(2)3/h;;5*1-2H.

What are the key properties of Ptilolite?

Ptilolite has a molecular weight of 440.47 g/mol, XLogP of -8.83, 0 rotatable bonds, 10 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Ptilolite is sourced from PubChem (CID 6335913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).