calcium;potassium;triiodide

CaI3K — CID 157095775

IUPACcalcium;potassium;triiodide
SMILES[Ca+2].[I-].[I-].[I-].[K+]
InChIInChI=1S/Ca.3HI.K/h;3*1H;/q+2;;;;+1/p-3
InChIKeyAFEQYIOLBKHZQM-UHFFFAOYSA-K
MW459.89 g/mol
LogP-12.36
Rot. Bonds

About calcium;potassium;triiodide

calcium;potassium;triiodide (PubChem CID 157095775) has the molecular formula CaI3K and a molecular weight of 459.89 g/mol. Its IUPAC name is calcium;potassium;triiodide.

Molecular Properties

Compound Namecalcium;potassium;triiodide
PubChem CID157095775
Molecular FormulaCaI3K
Molecular Weight459.89 g/mol
Exact Mass459.64
IUPAC Namecalcium;potassium;triiodide
SMILES[Ca+2].[I-].[I-].[I-].[K+]
InChIInChI=1S/Ca.3HI.K/h;3*1H;/q+2;;;;+1/p-3
InChIKeyAFEQYIOLBKHZQM-UHFFFAOYSA-K
XLogP-12.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.89
LogP ≤ 5-12.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of calcium;potassium;triiodide?
The IUPAC name of calcium;potassium;triiodide (CID 157095775) is calcium;potassium;triiodide.
What is the SMILES notation for calcium;potassium;triiodide?
The canonical SMILES for calcium;potassium;triiodide is [Ca+2].[I-].[I-].[I-].[K+].
What is the InChIKey of calcium;potassium;triiodide?
The InChIKey is AFEQYIOLBKHZQM-UHFFFAOYSA-K. The full InChI is InChI=1S/Ca.3HI.K/h;3*1H;/q+2;;;;+1/p-3.
What are the key properties of calcium;potassium;triiodide?
calcium;potassium;triiodide has a molecular weight of 459.89 g/mol, XLogP of -12.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;potassium;triiodide is sourced from PubChem (CID 157095775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).