2-[2-(iodomethoxy)ethoxy]propane

C6H13IO2 — CID 118312444

IUPAC2-[2-(iodomethoxy)ethoxy]propane
SMILESCC(C)OCCOCI
InChIInChI=1S/C6H13IO2/c1-6(2)9-4-3-8-5-7/h6H,3-5H2,1-2H3
InChIKeyWOBYYLIQGGQJGC-UHFFFAOYSA-N
MW244.07 g/mol
LogP1.82
Rot. Bonds5

About 2-[2-(iodomethoxy)ethoxy]propane

2-[2-(iodomethoxy)ethoxy]propane (PubChem CID 118312444) has the molecular formula C6H13IO2 and a molecular weight of 244.07 g/mol. Its IUPAC name is 2-[2-(iodomethoxy)ethoxy]propane.

Molecular Properties

Compound Name2-[2-(iodomethoxy)ethoxy]propane
PubChem CID118312444
Molecular FormulaC6H13IO2
Molecular Weight244.07 g/mol
Exact Mass244.00
IUPAC Name2-[2-(iodomethoxy)ethoxy]propane
SMILESCC(C)OCCOCI
InChIInChI=1S/C6H13IO2/c1-6(2)9-4-3-8-5-7/h6H,3-5H2,1-2H3
InChIKeyWOBYYLIQGGQJGC-UHFFFAOYSA-N
XLogP1.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.07
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(iodomethoxy)ethoxy]propane 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 2-[2-(iodomethoxy)ethoxy]propane?
The IUPAC name of 2-[2-(iodomethoxy)ethoxy]propane (CID 118312444) is 2-[2-(iodomethoxy)ethoxy]propane.
What is the SMILES notation for 2-[2-(iodomethoxy)ethoxy]propane?
The canonical SMILES for 2-[2-(iodomethoxy)ethoxy]propane is CC(C)OCCOCI.
What is the InChIKey of 2-[2-(iodomethoxy)ethoxy]propane?
The InChIKey is WOBYYLIQGGQJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13IO2/c1-6(2)9-4-3-8-5-7/h6H,3-5H2,1-2H3.
What are the key properties of 2-[2-(iodomethoxy)ethoxy]propane?
2-[2-(iodomethoxy)ethoxy]propane has a molecular weight of 244.07 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(iodomethoxy)ethoxy]propane is sourced from PubChem (CID 118312444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).