calcium;nickel(2+);silicate

CaNiO4Si — CID 157303279

About calcium;nickel(2+);silicate

calcium;nickel(2+);silicate (PubChem CID 157303279) has the molecular formula CaNiO4Si and a molecular weight of 190.85 g/mol. Its IUPAC name is calcium;nickel(2+);silicate.

Molecular Properties

• Compound Name: calcium;nickel(2+);silicate
• PubChem CID: 157303279
• Molecular Formula: CaNiO4Si
• Molecular Weight: 190.85 g/mol
• Exact Mass: 189.85
• IUPAC Name: calcium;nickel(2+);silicate
• SMILES: [Ca+2].[Ni+2].[O-][Si]([O-])([O-])[O-]
• InChI: InChI=1S/Ca.Ni.O4Si/c;;1-5(2,3)4/q2*+2;-4
• InChIKey: VTEDCAKDNKOUOG-UHFFFAOYSA-N
• XLogP: -5.52
• TPSA: 92.24 Ų
• H-Bond Acceptors: 4
• Heavy Atoms: 7
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	190.85
LogP ≤ 5	-5.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of calcium;nickel(2+);silicate?

The IUPAC name of calcium;nickel(2+);silicate (CID 157303279) is calcium;nickel(2+);silicate.

What is the SMILES notation for calcium;nickel(2+);silicate?

The canonical SMILES for calcium;nickel(2+);silicate is [Ca+2].[Ni+2].[O-][Si]([O-])([O-])[O-].

What is the InChIKey of calcium;nickel(2+);silicate?

The InChIKey is VTEDCAKDNKOUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.Ni.O4Si/c;;1-5(2,3)4/q2*+2;-4.

What are the key properties of calcium;nickel(2+);silicate?

calcium;nickel(2+);silicate has a molecular weight of 190.85 g/mol, XLogP of -5.52, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for calcium;nickel(2+);silicate is sourced from PubChem (CID 157303279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).