CID 173021814

H2AlCaMgO3Si — CID 173021814

IUPAC—
SMILESO=[Si]([O-])[O-].[Al].[Ca+2].[H-].[H-].[Mg+2]
InChIInChI=1S/Al.Ca.Mg.O3Si.2H/c;;;1-4(2)3;;/q;2*+2;-2;2*-1
InChIKeyYGEXOKDKUQWOSX-UHFFFAOYSA-N
MW169.46 g/mol
LogP-3.80
Rot. Bonds

About CID 173021814

CID 173021814 (PubChem CID 173021814) has the molecular formula H2AlCaMgO3Si and a molecular weight of 169.46 g/mol.

Molecular Properties

Compound NameCID 173021814
PubChem CID173021814
Molecular FormulaH2AlCaMgO3Si
Molecular Weight169.46 g/mol
Exact Mass168.91
IUPAC Name—
SMILESO=[Si]([O-])[O-].[Al].[Ca+2].[H-].[H-].[Mg+2]
InChIInChI=1S/Al.Ca.Mg.O3Si.2H/c;;;1-4(2)3;;/q;2*+2;-2;2*-1
InChIKeyYGEXOKDKUQWOSX-UHFFFAOYSA-N
XLogP-3.80
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.46
LogP ≤ 5-3.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 174801307
CID 174801307

Frequently Asked Questions

What is the IUPAC name of CID 173021814?
The IUPAC name of CID 173021814 (CID 173021814) is not available.
What is the SMILES notation for CID 173021814?
The canonical SMILES for CID 173021814 is O=[Si]([O-])[O-].[Al].[Ca+2].[H-].[H-].[Mg+2].
What is the InChIKey of CID 173021814?
The InChIKey is YGEXOKDKUQWOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.Ca.Mg.O3Si.2H/c;;;1-4(2)3;;/q;2*+2;-2;2*-1.
What are the key properties of CID 173021814?
CID 173021814 has a molecular weight of 169.46 g/mol, XLogP of -3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173021814 is sourced from PubChem (CID 173021814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).