calcium pentaiodide

CaI5-3 — CID 175794086

IUPACcalcium pentaiodide
SMILES[Ca+2].[I-].[I-].[I-].[I-].[I-]
InChIInChI=1S/Ca.5HI/h;5*1H/q+2;;;;;/p-5
InChIKeyPXBIEQLJONXIPR-UHFFFAOYSA-I
MW674.60 g/mol
LogP-15.36
Rot. Bonds

About calcium pentaiodide

calcium pentaiodide (PubChem CID 175794086) has the molecular formula CaI5-3 and a molecular weight of 674.60 g/mol. Its IUPAC name is calcium pentaiodide.

Molecular Properties

Compound Namecalcium pentaiodide
PubChem CID175794086
Molecular FormulaCaI5-3
Molecular Weight674.60 g/mol
Exact Mass674.49
IUPAC Namecalcium pentaiodide
SMILES[Ca+2].[I-].[I-].[I-].[I-].[I-]
InChIInChI=1S/Ca.5HI/h;5*1H/q+2;;;;;/p-5
InChIKeyPXBIEQLJONXIPR-UHFFFAOYSA-I
XLogP-15.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500674.60
LogP ≤ 5-15.36
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

molybdenum pentaiodide
CID 173057247
dicalcium diiodide
CID 158569539
calcium;potassium;triiodide
CID 157095775
Aluminium--molybdenum (5/1)
CID 78062160
molybdenum;tetrahydrate
CID 76871900
molybdenum;pentahydrochloride
CID 173013331
carbanide;molybdenum
CID 12949029
molybdenum;tantalum
CID 174821488
calcium;ethanol;diiodide
CID 174747257
molybdenum;octahydrate
CID 72725784
CID 25021789
CID 25021789
ruthenium(2+) triiodide
CID 21115939

Frequently Asked Questions

What is the IUPAC name of calcium pentaiodide?
The IUPAC name of calcium pentaiodide (CID 175794086) is calcium pentaiodide.
What is the SMILES notation for calcium pentaiodide?
The canonical SMILES for calcium pentaiodide is [Ca+2].[I-].[I-].[I-].[I-].[I-].
What is the InChIKey of calcium pentaiodide?
The InChIKey is PXBIEQLJONXIPR-UHFFFAOYSA-I. The full InChI is InChI=1S/Ca.5HI/h;5*1H/q+2;;;;;/p-5.
What are the key properties of calcium pentaiodide?
calcium pentaiodide has a molecular weight of 674.60 g/mol, XLogP of -15.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium pentaiodide is sourced from PubChem (CID 175794086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).