calcium;disodium;silicate

CaNa2O4Si — CID 159574070

IUPACcalcium;disodium;silicate
SMILES[Ca+2].[Na+].[Na+].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/Ca.2Na.O4Si/c;;;1-5(2,3)4/q+2;2*+1;-4
InChIKeyMIEHUFDIALEGHD-UHFFFAOYSA-N
MW178.14 g/mol
LogP-11.51
Rot. Bonds

About calcium;disodium;silicate

calcium;disodium;silicate (PubChem CID 159574070) has the molecular formula CaNa2O4Si and a molecular weight of 178.14 g/mol. Its IUPAC name is calcium;disodium;silicate.

Molecular Properties

Compound Namecalcium;disodium;silicate
PubChem CID159574070
Molecular FormulaCaNa2O4Si
Molecular Weight178.14 g/mol
Exact Mass177.90
IUPAC Namecalcium;disodium;silicate
SMILES[Ca+2].[Na+].[Na+].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/Ca.2Na.O4Si/c;;;1-5(2,3)4/q+2;2*+1;-4
InChIKeyMIEHUFDIALEGHD-UHFFFAOYSA-N
XLogP-11.51
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-11.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 calcium;disodium;silicate?
The IUPAC name of calcium;disodium;silicate (CID 159574070) is calcium;disodium;silicate.
What is the SMILES notation for calcium;disodium;silicate?
The canonical SMILES for calcium;disodium;silicate is [Ca+2].[Na+].[Na+].[O-][Si]([O-])([O-])[O-].
What is the InChIKey of calcium;disodium;silicate?
The InChIKey is MIEHUFDIALEGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.2Na.O4Si/c;;;1-5(2,3)4/q+2;2*+1;-4.
What are the key properties of calcium;disodium;silicate?
calcium;disodium;silicate has a molecular weight of 178.14 g/mol, XLogP of -11.51, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;disodium;silicate is sourced from PubChem (CID 159574070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).