dicalcium diiodide

Ca2I2+2 — CID 158569539

IUPACdicalcium diiodide
SMILES[Ca+2].[Ca+2].[I-].[I-]
InChIInChI=1S/2Ca.2HI/h;;2*1H/q2*+2;;/p-2
InChIKeyHRXHIAYZXZTXCW-UHFFFAOYSA-L
MW333.96 g/mol
LogP-6.75
Rot. Bonds

About dicalcium diiodide

dicalcium diiodide (PubChem CID 158569539) has the molecular formula Ca2I2+2 and a molecular weight of 333.96 g/mol. Its IUPAC name is dicalcium diiodide.

Molecular Properties

Compound Namedicalcium diiodide
PubChem CID158569539
Molecular FormulaCa2I2+2
Molecular Weight333.96 g/mol
Exact Mass333.73
IUPAC Namedicalcium diiodide
SMILES[Ca+2].[Ca+2].[I-].[I-]
InChIInChI=1S/2Ca.2HI/h;;2*1H/q2*+2;;/p-2
InChIKeyHRXHIAYZXZTXCW-UHFFFAOYSA-L
XLogP-6.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.96
LogP ≤ 5-6.75
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 dicalcium diiodide?
The IUPAC name of dicalcium diiodide (CID 158569539) is dicalcium diiodide.
What is the SMILES notation for dicalcium diiodide?
The canonical SMILES for dicalcium diiodide is [Ca+2].[Ca+2].[I-].[I-].
What is the InChIKey of dicalcium diiodide?
The InChIKey is HRXHIAYZXZTXCW-UHFFFAOYSA-L. The full InChI is InChI=1S/2Ca.2HI/h;;2*1H/q2*+2;;/p-2.
What are the key properties of dicalcium diiodide?
dicalcium diiodide has a molecular weight of 333.96 g/mol, XLogP of -6.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium diiodide is sourced from PubChem (CID 158569539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).