1,2-diiodo-4-iodoiodanuidylcyclohexane

C6H9I4- — CID 158708556

IUPAC1,2-diiodo-4-iodoiodanuidylcyclohexane
SMILESI[I-]C1CCC(I)C(I)C1
InChIInChI=1S/C6H9I4/c7-5-2-1-4(10-9)3-6(5)8/h4-6H,1-3H2/q-1
InChIKeyQYPPZAMSPIRYMS-UHFFFAOYSA-N
MW588.75 g/mol
LogP0.59
Rot. Bonds1

About 1,2-diiodo-4-iodoiodanuidylcyclohexane

1,2-diiodo-4-iodoiodanuidylcyclohexane (PubChem CID 158708556) has the molecular formula C6H9I4- and a molecular weight of 588.75 g/mol. Its IUPAC name is 1,2-diiodo-4-iodoiodanuidylcyclohexane.

Molecular Properties

Compound Name1,2-diiodo-4-iodoiodanuidylcyclohexane
PubChem CID158708556
Molecular FormulaC6H9I4-
Molecular Weight588.75 g/mol
Exact Mass588.69
IUPAC Name1,2-diiodo-4-iodoiodanuidylcyclohexane
SMILESI[I-]C1CCC(I)C(I)C1
InChIInChI=1S/C6H9I4/c7-5-2-1-4(10-9)3-6(5)8/h4-6H,1-3H2/q-1
InChIKeyQYPPZAMSPIRYMS-UHFFFAOYSA-N
XLogP0.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.75
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-diiodo-4-iodoiodanuidylcyclohexane?
The IUPAC name of 1,2-diiodo-4-iodoiodanuidylcyclohexane (CID 158708556) is 1,2-diiodo-4-iodoiodanuidylcyclohexane.
What is the SMILES notation for 1,2-diiodo-4-iodoiodanuidylcyclohexane?
The canonical SMILES for 1,2-diiodo-4-iodoiodanuidylcyclohexane is I[I-]C1CCC(I)C(I)C1.
What is the InChIKey of 1,2-diiodo-4-iodoiodanuidylcyclohexane?
The InChIKey is QYPPZAMSPIRYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9I4/c7-5-2-1-4(10-9)3-6(5)8/h4-6H,1-3H2/q-1.
What are the key properties of 1,2-diiodo-4-iodoiodanuidylcyclohexane?
1,2-diiodo-4-iodoiodanuidylcyclohexane has a molecular weight of 588.75 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diiodo-4-iodoiodanuidylcyclohexane is sourced from PubChem (CID 158708556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).