5-iodo-2-methoxyoxane

C6H11IO2 — CID 59927245

IUPAC5-iodo-2-methoxyoxane
SMILESCOC1CCC(I)CO1
InChIInChI=1S/C6H11IO2/c1-8-6-3-2-5(7)4-9-6/h5-6H,2-4H2,1H3
InChIKeyUPGBGMFCKPAOKF-UHFFFAOYSA-N
MW242.06 g/mol
LogP1.57
Rot. Bonds1

About 5-iodo-2-methoxyoxane

5-iodo-2-methoxyoxane (PubChem CID 59927245) has the molecular formula C6H11IO2 and a molecular weight of 242.06 g/mol. Its IUPAC name is 5-iodo-2-methoxyoxane.

Molecular Properties

Compound Name5-iodo-2-methoxyoxane
PubChem CID59927245
Molecular FormulaC6H11IO2
Molecular Weight242.06 g/mol
Exact Mass241.98
IUPAC Name5-iodo-2-methoxyoxane
SMILESCOC1CCC(I)CO1
InChIInChI=1S/C6H11IO2/c1-8-6-3-2-5(7)4-9-6/h5-6H,2-4H2,1H3
InChIKeyUPGBGMFCKPAOKF-UHFFFAOYSA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-iodo-2-methoxyoxane 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 5-iodo-2-methoxyoxane?
The IUPAC name of 5-iodo-2-methoxyoxane (CID 59927245) is 5-iodo-2-methoxyoxane.
What is the SMILES notation for 5-iodo-2-methoxyoxane?
The canonical SMILES for 5-iodo-2-methoxyoxane is COC1CCC(I)CO1.
What is the InChIKey of 5-iodo-2-methoxyoxane?
The InChIKey is UPGBGMFCKPAOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11IO2/c1-8-6-3-2-5(7)4-9-6/h5-6H,2-4H2,1H3.
What are the key properties of 5-iodo-2-methoxyoxane?
5-iodo-2-methoxyoxane has a molecular weight of 242.06 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-methoxyoxane is sourced from PubChem (CID 59927245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).