1,5-diiodocyclotridecane

C13H24I2 — CID 118632110

IUPAC1,5-diiodocyclotridecane
SMILESIC1CCCCCCCCC(I)CCC1
InChIInChI=1S/C13H24I2/c14-12-8-5-3-1-2-4-6-9-13(15)11-7-10-12/h12-13H,1-11H2
InChIKeyQFMJBJFEDPAJSL-UHFFFAOYSA-N
MW434.14 g/mol
LogP5.90
Rot. Bonds

About 1,5-diiodocyclotridecane

1,5-diiodocyclotridecane (PubChem CID 118632110) has the molecular formula C13H24I2 and a molecular weight of 434.14 g/mol. Its IUPAC name is 1,5-diiodocyclotridecane.

Molecular Properties

Compound Name1,5-diiodocyclotridecane
PubChem CID118632110
Molecular FormulaC13H24I2
Molecular Weight434.14 g/mol
Exact Mass434.00
IUPAC Name1,5-diiodocyclotridecane
SMILESIC1CCCCCCCCC(I)CCC1
InChIInChI=1S/C13H24I2/c14-12-8-5-3-1-2-4-6-9-13(15)11-7-10-12/h12-13H,1-11H2
InChIKeyQFMJBJFEDPAJSL-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.14
LogP ≤ 55.90
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 1,5-diiodocyclotridecane?
The IUPAC name of 1,5-diiodocyclotridecane (CID 118632110) is 1,5-diiodocyclotridecane.
What is the SMILES notation for 1,5-diiodocyclotridecane?
The canonical SMILES for 1,5-diiodocyclotridecane is IC1CCCCCCCCC(I)CCC1.
What is the InChIKey of 1,5-diiodocyclotridecane?
The InChIKey is QFMJBJFEDPAJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24I2/c14-12-8-5-3-1-2-4-6-9-13(15)11-7-10-12/h12-13H,1-11H2.
What are the key properties of 1,5-diiodocyclotridecane?
1,5-diiodocyclotridecane has a molecular weight of 434.14 g/mol, XLogP of 5.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diiodocyclotridecane is sourced from PubChem (CID 118632110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).