Clinoptilolite ((K0-1Na0-1Ca0-0.5)6(Al6Si30O72).20H2O)

H6AlCaKNaO3Si — CID 6336554

IUPAC—
SMILESO.O.O.[Al].[Ca].[K].[Na].[Si]
InChIInChI=1S/Al.Ca.K.Na.3H2O.Si/h;;;;3*1H2;
InChIKeyJYIBXUUINYLWLR-UHFFFAOYSA-N
MW211.28 g/mol
LogP-4.38
Rot. Bonds

About Clinoptilolite ((K0-1Na0-1Ca0-0.5)6(Al6Si30O72).20H2O)

Clinoptilolite ((K0-1Na0-1Ca0-0.5)6(Al6Si30O72).20H2O) (PubChem CID 6336554) has the molecular formula H6AlCaKNaO3Si and a molecular weight of 211.28 g/mol.

Molecular Properties

Compound NameClinoptilolite ((K0-1Na0-1Ca0-0.5)6(Al6Si30O72).20H2O)
PubChem CID6336554
Molecular FormulaH6AlCaKNaO3Si
Molecular Weight211.28 g/mol
Exact Mass210.91
IUPAC Name—
SMILESO.O.O.[Al].[Ca].[K].[Na].[Si]
InChIInChI=1S/Al.Ca.K.Na.3H2O.Si/h;;;;3*1H2;
InChIKeyJYIBXUUINYLWLR-UHFFFAOYSA-N
XLogP-4.38
TPSA94.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 5-4.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 11378794
CID 11378794
CID 11228782
CID 11228782
CID 161270383
CID 161270383
CID 157064958
CID 157064958
CID 159840224
CID 159840224
CID 24768036
CID 24768036
CID 157327522
CID 157327522
silane;sulfane;decahydrate
CID 159794839
CID 10192632
CID 10192632
CID 25028467
CID 25028467
Sodium hydrogen sulphide
CID 86586439
CID 173403453
CID 173403453

Frequently Asked Questions

What is the IUPAC name of Clinoptilolite ((K0-1Na0-1Ca0-0.5)6(Al6Si30O72).20H2O)?
The IUPAC name of Clinoptilolite ((K0-1Na0-1Ca0-0.5)6(Al6Si30O72).20H2O) (CID 6336554) is not available.
What is the SMILES notation for Clinoptilolite ((K0-1Na0-1Ca0-0.5)6(Al6Si30O72).20H2O)?
The canonical SMILES for Clinoptilolite ((K0-1Na0-1Ca0-0.5)6(Al6Si30O72).20H2O) is O.O.O.[Al].[Ca].[K].[Na].[Si].
What is the InChIKey of Clinoptilolite ((K0-1Na0-1Ca0-0.5)6(Al6Si30O72).20H2O)?
The InChIKey is JYIBXUUINYLWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.Ca.K.Na.3H2O.Si/h;;;;3*1H2;.
What are the key properties of Clinoptilolite ((K0-1Na0-1Ca0-0.5)6(Al6Si30O72).20H2O)?
Clinoptilolite ((K0-1Na0-1Ca0-0.5)6(Al6Si30O72).20H2O) has a molecular weight of 211.28 g/mol, XLogP of -4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Clinoptilolite ((K0-1Na0-1Ca0-0.5)6(Al6Si30O72).20H2O) is sourced from PubChem (CID 6336554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).