bis(molecular iodine);(vanadium);dihydroiodide

H2I6V42 — CID 161463721

IUPACbis(molecular iodine);(vanadium);dihydroiodide
SMILESI.I.II.II.[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V]
InChIInChI=1S/2I2.2HI.42V/c2*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;2*1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyIMENBRFGKZQTFS-UHFFFAOYSA-N
MW2903.09 g/mol
LogP4.67
Rot. Bonds

About bis(molecular iodine);(vanadium);dihydroiodide

bis(molecular iodine);(vanadium);dihydroiodide (PubChem CID 161463721) has the molecular formula H2I6V42 and a molecular weight of 2903.09 g/mol. Its IUPAC name is bis(molecular iodine);(vanadium);dihydroiodide.

Molecular Properties

Compound Namebis(molecular iodine);(vanadium);dihydroiodide
PubChem CID161463721
Molecular FormulaH2I6V42
Molecular Weight2903.09 g/mol
Exact Mass2903.09
IUPAC Namebis(molecular iodine);(vanadium);dihydroiodide
SMILESI.I.II.II.[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V]
InChIInChI=1S/2I2.2HI.42V/c2*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;2*1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyIMENBRFGKZQTFS-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5002903.09
LogP ≤ 54.67
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 bis(molecular iodine);(vanadium);dihydroiodide?
The IUPAC name of bis(molecular iodine);(vanadium);dihydroiodide (CID 161463721) is bis(molecular iodine);(vanadium);dihydroiodide.
What is the SMILES notation for bis(molecular iodine);(vanadium);dihydroiodide?
The canonical SMILES for bis(molecular iodine);(vanadium);dihydroiodide is I.I.II.II.[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].
What is the InChIKey of bis(molecular iodine);(vanadium);dihydroiodide?
The InChIKey is IMENBRFGKZQTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/2I2.2HI.42V/c2*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;2*1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of bis(molecular iodine);(vanadium);dihydroiodide?
bis(molecular iodine);(vanadium);dihydroiodide has a molecular weight of 2903.09 g/mol, XLogP of 4.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(molecular iodine);(vanadium);dihydroiodide is sourced from PubChem (CID 161463721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).