calcium;magnesium;silicate;hydrate

H2CaMgO5Si — CID 122198724

IUPACcalcium;magnesium;silicate;hydrate
SMILESO.[Ca+2].[Mg+2].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/Ca.Mg.O4Si.H2O/c;;1-5(2,3)4;/h;;;1H2/q2*+2;-4;
InChIKeyAGEAFVHWFDYPSY-UHFFFAOYSA-N
MW174.48 g/mol
LogP-6.72
Rot. Bonds

About calcium;magnesium;silicate;hydrate

calcium;magnesium;silicate;hydrate (PubChem CID 122198724) has the molecular formula H2CaMgO5Si and a molecular weight of 174.48 g/mol. Its IUPAC name is calcium;magnesium;silicate;hydrate.

Molecular Properties

Compound Namecalcium;magnesium;silicate;hydrate
PubChem CID122198724
Molecular FormulaH2CaMgO5Si
Molecular Weight174.48 g/mol
Exact Mass173.91
IUPAC Namecalcium;magnesium;silicate;hydrate
SMILESO.[Ca+2].[Mg+2].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/Ca.Mg.O4Si.H2O/c;;1-5(2,3)4;/h;;;1H2/q2*+2;-4;
InChIKeyAGEAFVHWFDYPSY-UHFFFAOYSA-N
XLogP-6.72
TPSA123.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.48
LogP ≤ 5-6.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze calcium;magnesium;silicate;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of calcium;magnesium;silicate;hydrate?
The IUPAC name of calcium;magnesium;silicate;hydrate (CID 122198724) is calcium;magnesium;silicate;hydrate.
What is the SMILES notation for calcium;magnesium;silicate;hydrate?
The canonical SMILES for calcium;magnesium;silicate;hydrate is O.[Ca+2].[Mg+2].[O-][Si]([O-])([O-])[O-].
What is the InChIKey of calcium;magnesium;silicate;hydrate?
The InChIKey is AGEAFVHWFDYPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.Mg.O4Si.H2O/c;;1-5(2,3)4;/h;;;1H2/q2*+2;-4;.
What are the key properties of calcium;magnesium;silicate;hydrate?
calcium;magnesium;silicate;hydrate has a molecular weight of 174.48 g/mol, XLogP of -6.72, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;magnesium;silicate;hydrate is sourced from PubChem (CID 122198724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).