CID 46205957

H3CaFeMgO2Si+ — CID 46205957

IUPAC—
SMILESO.[Ca].[Fe+2].[Mg].[OH-].[Si]
InChIInChI=1S/Ca.Fe.Mg.2H2O.Si/h;;;2*1H2;/q;+2;;;;/p-1
InChIKeyHIMYQRKREDVDDH-UHFFFAOYSA-M
MW183.34 g/mol
LogP-2.15
Rot. Bonds

About CID 46205957

CID 46205957 (PubChem CID 46205957) has the molecular formula H3CaFeMgO2Si+ and a molecular weight of 183.34 g/mol.

Molecular Properties

Compound NameCID 46205957
PubChem CID46205957
Molecular FormulaH3CaFeMgO2Si+
Molecular Weight183.34 g/mol
Exact Mass182.87
IUPAC Name—
SMILESO.[Ca].[Fe+2].[Mg].[OH-].[Si]
InChIInChI=1S/Ca.Fe.Mg.2H2O.Si/h;;;2*1H2;/q;+2;;;;/p-1
InChIKeyHIMYQRKREDVDDH-UHFFFAOYSA-M
XLogP-2.15
TPSA61.50 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 5-2.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 46205957?
The IUPAC name of CID 46205957 (CID 46205957) is not available.
What is the SMILES notation for CID 46205957?
The canonical SMILES for CID 46205957 is O.[Ca].[Fe+2].[Mg].[OH-].[Si].
What is the InChIKey of CID 46205957?
The InChIKey is HIMYQRKREDVDDH-UHFFFAOYSA-M. The full InChI is InChI=1S/Ca.Fe.Mg.2H2O.Si/h;;;2*1H2;/q;+2;;;;/p-1.
What are the key properties of CID 46205957?
CID 46205957 has a molecular weight of 183.34 g/mol, XLogP of -2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 46205957 is sourced from PubChem (CID 46205957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).