calcium;magnesium;sodium;silicate

CaMgNaO4Si+ — CID 158604982

IUPACcalcium;magnesium;sodium;silicate
SMILES[Ca+2].[Mg+2].[Na+].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/Ca.Mg.Na.O4Si/c;;;1-5(2,3)4/q2*+2;+1;-4
InChIKeyHWCKGEANJJNHGQ-UHFFFAOYSA-N
MW179.45 g/mol
LogP-8.89
Rot. Bonds

About calcium;magnesium;sodium;silicate

calcium;magnesium;sodium;silicate (PubChem CID 158604982) has the molecular formula CaMgNaO4Si+ and a molecular weight of 179.45 g/mol. Its IUPAC name is calcium;magnesium;sodium;silicate.

Molecular Properties

Compound Namecalcium;magnesium;sodium;silicate
PubChem CID158604982
Molecular FormulaCaMgNaO4Si+
Molecular Weight179.45 g/mol
Exact Mass178.89
IUPAC Namecalcium;magnesium;sodium;silicate
SMILES[Ca+2].[Mg+2].[Na+].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/Ca.Mg.Na.O4Si/c;;;1-5(2,3)4/q2*+2;+1;-4
InChIKeyHWCKGEANJJNHGQ-UHFFFAOYSA-N
XLogP-8.89
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.45
LogP ≤ 5-8.89
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;magnesium;sodium;silicate?
The IUPAC name of calcium;magnesium;sodium;silicate (CID 158604982) is calcium;magnesium;sodium;silicate.
What is the SMILES notation for calcium;magnesium;sodium;silicate?
The canonical SMILES for calcium;magnesium;sodium;silicate is [Ca+2].[Mg+2].[Na+].[O-][Si]([O-])([O-])[O-].
What is the InChIKey of calcium;magnesium;sodium;silicate?
The InChIKey is HWCKGEANJJNHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.Mg.Na.O4Si/c;;;1-5(2,3)4/q2*+2;+1;-4.
What are the key properties of calcium;magnesium;sodium;silicate?
calcium;magnesium;sodium;silicate has a molecular weight of 179.45 g/mol, XLogP of -8.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;magnesium;sodium;silicate is sourced from PubChem (CID 158604982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).