tricyclohexyl(iodo)stannane

C18H33ISn — CID 5249459

IUPACtricyclohexyl(iodo)stannane
SMILESI[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/3C6H11.HI.Sn/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H;/q;;;;+1/p-1
InChIKeyRXALVURMPCAWBV-UHFFFAOYSA-M
MW495.08 g/mol
LogP7.37
Rot. Bonds3

About tricyclohexyl(iodo)stannane

tricyclohexyl(iodo)stannane (PubChem CID 5249459) has the molecular formula C18H33ISn and a molecular weight of 495.08 g/mol. Its IUPAC name is tricyclohexyl(iodo)stannane.

Molecular Properties

Compound Nametricyclohexyl(iodo)stannane
PubChem CID5249459
Molecular FormulaC18H33ISn
Molecular Weight495.08 g/mol
Exact Mass496.06
IUPAC Nametricyclohexyl(iodo)stannane
SMILESI[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/3C6H11.HI.Sn/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H;/q;;;;+1/p-1
InChIKeyRXALVURMPCAWBV-UHFFFAOYSA-M
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.08
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tricyclohexyl(iodo)stannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tricyclohexyl(iodo)stannane?
The IUPAC name of tricyclohexyl(iodo)stannane (CID 5249459) is tricyclohexyl(iodo)stannane.
What is the SMILES notation for tricyclohexyl(iodo)stannane?
The canonical SMILES for tricyclohexyl(iodo)stannane is I[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of tricyclohexyl(iodo)stannane?
The InChIKey is RXALVURMPCAWBV-UHFFFAOYSA-M. The full InChI is InChI=1S/3C6H11.HI.Sn/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)stannane?
tricyclohexyl(iodo)stannane has a molecular weight of 495.08 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)stannane is sourced from PubChem (CID 5249459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).