dicalcium;silicate

Ca2O4Si — CID 14941

About dicalcium;silicate

dicalcium;silicate (PubChem CID 14941) has the molecular formula Ca2O4Si and a molecular weight of 172.24 g/mol. Its IUPAC name is dicalcium;silicate.

Molecular Properties

• Compound Name: dicalcium;silicate
• PubChem CID: 14941
• Molecular Formula: Ca2O4Si
• Molecular Weight: 172.24 g/mol
• Exact Mass: 171.88
• IUPAC Name: dicalcium;silicate
• SMILES: [Ca+2].[Ca+2].[O-][Si]([O-])([O-])[O-]
• InChI: InChI=1S/2Ca.O4Si/c;;1-5(2,3)4/q2*+2;-4
• InChIKey: JHLNERQLKQQLRZ-UHFFFAOYSA-N
• XLogP: -5.90
• TPSA: 92.24 Ų
• H-Bond Acceptors: 4
• Heavy Atoms: 7
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	172.24
LogP ≤ 5	-5.90
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 dicalcium;silicate?

The IUPAC name of dicalcium;silicate (CID 14941) is dicalcium;silicate.

What is the SMILES notation for dicalcium;silicate?

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

What is the InChIKey of dicalcium;silicate?

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

What are the key properties of dicalcium;silicate?

dicalcium;silicate has a molecular weight of 172.24 g/mol, XLogP of -5.90, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for dicalcium;silicate is sourced from PubChem (CID 14941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).