calcium;hydride;tetraiodoplumbane;titanium

H2CaI4PbTi — CID 175609754

IUPACcalcium;hydride;tetraiodoplumbane;titanium
SMILESI[Pb](I)(I)I.[Ca+2].[H-].[H-].[Ti]
InChIInChI=1S/Ca.4HI.Pb.Ti.2H/h;4*1H;;;;/q+2;;;;;+4;;2*-1/p-4
InChIKeySQKPCRNBYCKQMP-UHFFFAOYSA-J
MW804.78 g/mol
LogP3.00
Rot. Bonds

About calcium;hydride;tetraiodoplumbane;titanium

calcium;hydride;tetraiodoplumbane;titanium (PubChem CID 175609754) has the molecular formula H2CaI4PbTi and a molecular weight of 804.78 g/mol. Its IUPAC name is calcium;hydride;tetraiodoplumbane;titanium.

Molecular Properties

Compound Namecalcium;hydride;tetraiodoplumbane;titanium
PubChem CID175609754
Molecular FormulaH2CaI4PbTi
Molecular Weight804.78 g/mol
Exact Mass805.52
IUPAC Namecalcium;hydride;tetraiodoplumbane;titanium
SMILESI[Pb](I)(I)I.[Ca+2].[H-].[H-].[Ti]
InChIInChI=1S/Ca.4HI.Pb.Ti.2H/h;4*1H;;;;/q+2;;;;;+4;;2*-1/p-4
InChIKeySQKPCRNBYCKQMP-UHFFFAOYSA-J
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500804.78
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of calcium;hydride;tetraiodoplumbane;titanium?
The IUPAC name of calcium;hydride;tetraiodoplumbane;titanium (CID 175609754) is calcium;hydride;tetraiodoplumbane;titanium.
What is the SMILES notation for calcium;hydride;tetraiodoplumbane;titanium?
The canonical SMILES for calcium;hydride;tetraiodoplumbane;titanium is I[Pb](I)(I)I.[Ca+2].[H-].[H-].[Ti].
What is the InChIKey of calcium;hydride;tetraiodoplumbane;titanium?
The InChIKey is SQKPCRNBYCKQMP-UHFFFAOYSA-J. The full InChI is InChI=1S/Ca.4HI.Pb.Ti.2H/h;4*1H;;;;/q+2;;;;;+4;;2*-1/p-4.
What are the key properties of calcium;hydride;tetraiodoplumbane;titanium?
calcium;hydride;tetraiodoplumbane;titanium has a molecular weight of 804.78 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;tetraiodoplumbane;titanium is sourced from PubChem (CID 175609754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).