3,6-diiodobicyclo[3.1.1]heptane

C7H10I2 — CID 170185252

IUPAC3,6-diiodobicyclo[3.1.1]heptane
SMILESIC1CC2CC(C1)C2I
InChIInChI=1S/C7H10I2/c8-6-2-4-1-5(3-6)7(4)9/h4-7H,1-3H2
InChIKeyWGDIVASCJOGFRH-UHFFFAOYSA-N
MW347.97 g/mol
LogP3.02
Rot. Bonds

About 3,6-diiodobicyclo[3.1.1]heptane

3,6-diiodobicyclo[3.1.1]heptane (PubChem CID 170185252) has the molecular formula C7H10I2 and a molecular weight of 347.97 g/mol. Its IUPAC name is 3,6-diiodobicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3,6-diiodobicyclo[3.1.1]heptane
PubChem CID170185252
Molecular FormulaC7H10I2
Molecular Weight347.97 g/mol
Exact Mass347.89
IUPAC Name3,6-diiodobicyclo[3.1.1]heptane
SMILESIC1CC2CC(C1)C2I
InChIInChI=1S/C7H10I2/c8-6-2-4-1-5(3-6)7(4)9/h4-7H,1-3H2
InChIKeyWGDIVASCJOGFRH-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.97
LogP ≤ 53.02
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'}

Analyze 3,6-diiodobicyclo[3.1.1]heptane with MolForge

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

Launch Full Analysis

Related Compounds

3-Iodobicyclo[3.1.1]heptane
CID 131854578
Endo-6-syn-7-diiodobicyclo[3.1.1]heptane
CID 14640068
Bicyclo[3.1.1]heptane iodide
CID 153107935
1,5-Diiodobicyclo[3.1.1]heptane
CID 171716147
1,6-Diiodobicyclo[3.1.1]heptane
CID 139480407
6-Iodobicyclo[3.1.1]heptane
CID 144216760
2-Iodobicyclo[3.1.1]heptane
CID 145063284
CID 153327779
CID 153327779

Frequently Asked Questions

What is the IUPAC name of 3,6-diiodobicyclo[3.1.1]heptane?
The IUPAC name of 3,6-diiodobicyclo[3.1.1]heptane (CID 170185252) is 3,6-diiodobicyclo[3.1.1]heptane.
What is the SMILES notation for 3,6-diiodobicyclo[3.1.1]heptane?
The canonical SMILES for 3,6-diiodobicyclo[3.1.1]heptane is IC1CC2CC(C1)C2I.
What is the InChIKey of 3,6-diiodobicyclo[3.1.1]heptane?
The InChIKey is WGDIVASCJOGFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10I2/c8-6-2-4-1-5(3-6)7(4)9/h4-7H,1-3H2.
What are the key properties of 3,6-diiodobicyclo[3.1.1]heptane?
3,6-diiodobicyclo[3.1.1]heptane has a molecular weight of 347.97 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diiodobicyclo[3.1.1]heptane is sourced from PubChem (CID 170185252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).