CID 175044802

H11AlCaFeKMgSiTiVW — CID 175044802

IUPAC—
SMILES[AlH3].[Ca+2].[Fe].[H-].[H-].[H-].[H-].[H-].[K+].[Mg+2].[SiH3].[Ti].[V].[W]
InChIInChI=1S/Al.Ca.Fe.K.Mg.H3Si.Ti.V.W.8H/h;;;;;1H3;;;;;;;;;;;/q;+2;;+1;+2;;;;;;;;5*-1
InChIKeyIGKUXCOJOIOKEG-UHFFFAOYSA-N
MW508.13 g/mol
LogP-5.57
Rot. Bonds

About CID 175044802

CID 175044802 (PubChem CID 175044802) has the molecular formula H11AlCaFeKMgSiTiVW and a molecular weight of 508.13 g/mol.

Molecular Properties

Compound NameCID 175044802
PubChem CID175044802
Molecular FormulaH11AlCaFeKMgSiTiVW
Molecular Weight508.13 g/mol
Exact Mass507.73
IUPAC Name—
SMILES[AlH3].[Ca+2].[Fe].[H-].[H-].[H-].[H-].[H-].[K+].[Mg+2].[SiH3].[Ti].[V].[W]
InChIInChI=1S/Al.Ca.Fe.K.Mg.H3Si.Ti.V.W.8H/h;;;;;1H3;;;;;;;;;;;/q;+2;;+1;+2;;;;;;;;5*-1
InChIKeyIGKUXCOJOIOKEG-UHFFFAOYSA-N
XLogP-5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.13
LogP ≤ 5-5.57
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 175044802?
The IUPAC name of CID 175044802 (CID 175044802) is not available.
What is the SMILES notation for CID 175044802?
The canonical SMILES for CID 175044802 is [AlH3].[Ca+2].[Fe].[H-].[H-].[H-].[H-].[H-].[K+].[Mg+2].[SiH3].[Ti].[V].[W].
What is the InChIKey of CID 175044802?
The InChIKey is IGKUXCOJOIOKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.Ca.Fe.K.Mg.H3Si.Ti.V.W.8H/h;;;;;1H3;;;;;;;;;;;/q;+2;;+1;+2;;;;;;;;5*-1.
What are the key properties of CID 175044802?
CID 175044802 has a molecular weight of 508.13 g/mol, XLogP of -5.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175044802 is sourced from PubChem (CID 175044802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).