CID 173418327

H2AlCaMgOSi — CID 173418327

IUPAC—
SMILES[Al].[Ca+2].[H-].[H-].[Mg+2].[O-2].[Si]
InChIInChI=1S/Al.Ca.Mg.O.Si.2H/q;2*+2;-2;;2*-1
InChIKeyYXTURBGNJJNDKD-UHFFFAOYSA-N
MW137.47 g/mol
LogP-1.42
Rot. Bonds

About CID 173418327

CID 173418327 (PubChem CID 173418327) has the molecular formula H2AlCaMgOSi and a molecular weight of 137.47 g/mol.

Molecular Properties

Compound NameCID 173418327
PubChem CID173418327
Molecular FormulaH2AlCaMgOSi
Molecular Weight137.47 g/mol
Exact Mass136.92
IUPAC Name—
SMILES[Al].[Ca+2].[H-].[H-].[Mg+2].[O-2].[Si]
InChIInChI=1S/Al.Ca.Mg.O.Si.2H/q;2*+2;-2;;2*-1
InChIKeyYXTURBGNJJNDKD-UHFFFAOYSA-N
XLogP-1.42
TPSA28.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.47
LogP ≤ 5-1.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 CID 173418327?
The IUPAC name of CID 173418327 (CID 173418327) is not available.
What is the SMILES notation for CID 173418327?
The canonical SMILES for CID 173418327 is [Al].[Ca+2].[H-].[H-].[Mg+2].[O-2].[Si].
What is the InChIKey of CID 173418327?
The InChIKey is YXTURBGNJJNDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.Ca.Mg.O.Si.2H/q;2*+2;-2;;2*-1.
What are the key properties of CID 173418327?
CID 173418327 has a molecular weight of 137.47 g/mol, XLogP of -1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173418327 is sourced from PubChem (CID 173418327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).