CID 174781867

H8AlCaFeMgOSi — CID 174781867

IUPAC—
SMILESO=[AlH].[Ca+2].[Fe].[H-].[H-].[H-].[H-].[Mg+2].[SiH3]
InChIInChI=1S/Al.Ca.Fe.Mg.O.H3Si.5H/h;;;;;1H3;;;;;/q;+2;;+2;;;;4*-1
InChIKeyXGQOWLSDRIBKTB-UHFFFAOYSA-N
MW199.36 g/mol
LogP-2.27
Rot. Bonds

About CID 174781867

CID 174781867 (PubChem CID 174781867) has the molecular formula H8AlCaFeMgOSi and a molecular weight of 199.36 g/mol.

Molecular Properties

Compound NameCID 174781867
PubChem CID174781867
Molecular FormulaH8AlCaFeMgOSi
Molecular Weight199.36 g/mol
Exact Mass198.90
IUPAC Name—
SMILESO=[AlH].[Ca+2].[Fe].[H-].[H-].[H-].[H-].[Mg+2].[SiH3]
InChIInChI=1S/Al.Ca.Fe.Mg.O.H3Si.5H/h;;;;;1H3;;;;;/q;+2;;+2;;;;4*-1
InChIKeyXGQOWLSDRIBKTB-UHFFFAOYSA-N
XLogP-2.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 5-2.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 174781867?
The IUPAC name of CID 174781867 (CID 174781867) is not available.
What is the SMILES notation for CID 174781867?
The canonical SMILES for CID 174781867 is O=[AlH].[Ca+2].[Fe].[H-].[H-].[H-].[H-].[Mg+2].[SiH3].
What is the InChIKey of CID 174781867?
The InChIKey is XGQOWLSDRIBKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.Ca.Fe.Mg.O.H3Si.5H/h;;;;;1H3;;;;;/q;+2;;+2;;;;4*-1.
What are the key properties of CID 174781867?
CID 174781867 has a molecular weight of 199.36 g/mol, XLogP of -2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174781867 is sourced from PubChem (CID 174781867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).