calcium;ethanol;diiodide

C2H6CaI2O — CID 174747257

IUPACcalcium;ethanol;diiodide
SMILESCCO.[Ca+2].[I-].[I-]
InChIInChI=1S/C2H6O.Ca.2HI/c1-2-3;;;/h3H,2H2,1H3;;2*1H/q;+2;;/p-2
InChIKeyDWVDDZFAUZXYLF-UHFFFAOYSA-L
MW339.96 g/mol
LogP-6.37
Rot. Bonds

About calcium;ethanol;diiodide

calcium;ethanol;diiodide (PubChem CID 174747257) has the molecular formula C2H6CaI2O and a molecular weight of 339.96 g/mol. Its IUPAC name is calcium;ethanol;diiodide.

Molecular Properties

Compound Namecalcium;ethanol;diiodide
PubChem CID174747257
Molecular FormulaC2H6CaI2O
Molecular Weight339.96 g/mol
Exact Mass339.81
IUPAC Namecalcium;ethanol;diiodide
SMILESCCO.[Ca+2].[I-].[I-]
InChIInChI=1S/C2H6O.Ca.2HI/c1-2-3;;;/h3H,2H2,1H3;;2*1H/q;+2;;/p-2
InChIKeyDWVDDZFAUZXYLF-UHFFFAOYSA-L
XLogP-6.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.96
LogP ≤ 5-6.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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ethanol;methanol
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CID 170920077
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CID 162004830
ethanol;phosphane
CID 159788730
ethanol;hydron
CID 174459614
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CID 173204929
ethanol;propane
CID 158736248
ethanol;ruthenium
CID 150841781
CID 173079153
CID 173079153

Frequently Asked Questions

What is the IUPAC name of calcium;ethanol;diiodide?
The IUPAC name of calcium;ethanol;diiodide (CID 174747257) is calcium;ethanol;diiodide.
What is the SMILES notation for calcium;ethanol;diiodide?
The canonical SMILES for calcium;ethanol;diiodide is CCO.[Ca+2].[I-].[I-].
What is the InChIKey of calcium;ethanol;diiodide?
The InChIKey is DWVDDZFAUZXYLF-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H6O.Ca.2HI/c1-2-3;;;/h3H,2H2,1H3;;2*1H/q;+2;;/p-2.
What are the key properties of calcium;ethanol;diiodide?
calcium;ethanol;diiodide has a molecular weight of 339.96 g/mol, XLogP of -6.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;ethanol;diiodide is sourced from PubChem (CID 174747257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).