Beidellite

H2AlCaNaO4Si — CID 6367228

IUPAC—
SMILESO.O=[Si]([O-])[O-].[Al].[Ca+2].[Na]
InChIInChI=1S/Al.Ca.Na.O3Si.H2O/c;;;1-4(2)3;/h;;;;1H2/q;+2;;-2;
InChIKeyVNSBYDPZHCQWNB-UHFFFAOYSA-N
MW184.15 g/mol
LogP-4.84
Rot. Bonds

About Beidellite

Beidellite (PubChem CID 6367228) has the molecular formula H2AlCaNaO4Si and a molecular weight of 184.15 g/mol.

Molecular Properties

Compound NameBeidellite
PubChem CID6367228
Molecular FormulaH2AlCaNaO4Si
Molecular Weight184.15 g/mol
Exact Mass183.91
IUPAC Name—
SMILESO.O=[Si]([O-])[O-].[Al].[Ca+2].[Na]
InChIInChI=1S/Al.Ca.Na.O3Si.H2O/c;;;1-4(2)3;/h;;;;1H2/q;+2;;-2;
InChIKeyVNSBYDPZHCQWNB-UHFFFAOYSA-N
XLogP-4.84
TPSA94.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-4.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 Beidellite?
The IUPAC name of Beidellite (CID 6367228) is not available.
What is the SMILES notation for Beidellite?
The canonical SMILES for Beidellite is O.O=[Si]([O-])[O-].[Al].[Ca+2].[Na].
What is the InChIKey of Beidellite?
The InChIKey is VNSBYDPZHCQWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.Ca.Na.O3Si.H2O/c;;;1-4(2)3;/h;;;;1H2/q;+2;;-2;.
What are the key properties of Beidellite?
Beidellite has a molecular weight of 184.15 g/mol, XLogP of -4.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Beidellite is sourced from PubChem (CID 6367228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).