tricyclohexyl(iodo)plumbane

C18H33IPb — CID 4682045

IUPACtricyclohexyl(iodo)plumbane
SMILESI[Pb](C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/3C6H11.HI.Pb/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H;/q;;;;+1/p-1
InChIKeyQEUFKQSQUJHATK-UHFFFAOYSA-M
MW583.57 g/mol
LogP7.37
Rot. Bonds3

About tricyclohexyl(iodo)plumbane

tricyclohexyl(iodo)plumbane (PubChem CID 4682045) has the molecular formula C18H33IPb and a molecular weight of 583.57 g/mol. Its IUPAC name is tricyclohexyl(iodo)plumbane.

Molecular Properties

Compound Nametricyclohexyl(iodo)plumbane
PubChem CID4682045
Molecular FormulaC18H33IPb
Molecular Weight583.57 g/mol
Exact Mass584.14
IUPAC Nametricyclohexyl(iodo)plumbane
SMILESI[Pb](C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/3C6H11.HI.Pb/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H;/q;;;;+1/p-1
InChIKeyQEUFKQSQUJHATK-UHFFFAOYSA-M
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.57
LogP ≤ 57.37
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 tricyclohexyl(iodo)plumbane?
The IUPAC name of tricyclohexyl(iodo)plumbane (CID 4682045) is tricyclohexyl(iodo)plumbane.
What is the SMILES notation for tricyclohexyl(iodo)plumbane?
The canonical SMILES for tricyclohexyl(iodo)plumbane is I[Pb](C1CCCCC1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of tricyclohexyl(iodo)plumbane?
The InChIKey is QEUFKQSQUJHATK-UHFFFAOYSA-M. The full InChI is InChI=1S/3C6H11.HI.Pb/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H;/q;;;;+1/p-1.
What are the key properties of tricyclohexyl(iodo)plumbane?
tricyclohexyl(iodo)plumbane has a molecular weight of 583.57 g/mol, XLogP of 7.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclohexyl(iodo)plumbane is sourced from PubChem (CID 4682045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).