2-ethoxy-1,1-diiodoethane

C4H8I2O — CID 71340144

IUPAC2-ethoxy-1,1-diiodoethane
SMILESCCOCC(I)I
InChIInChI=1S/C4H8I2O/c1-2-7-3-4(5)6/h4H,2-3H2,1H3
InChIKeyHLZYAOZGIRTVMY-UHFFFAOYSA-N
MW325.92 g/mol
LogP2.22
Rot. Bonds3

About 2-ethoxy-1,1-diiodoethane

2-ethoxy-1,1-diiodoethane (PubChem CID 71340144) has the molecular formula C4H8I2O and a molecular weight of 325.92 g/mol. Its IUPAC name is 2-ethoxy-1,1-diiodoethane.

Molecular Properties

Compound Name2-ethoxy-1,1-diiodoethane
PubChem CID71340144
Molecular FormulaC4H8I2O
Molecular Weight325.92 g/mol
Exact Mass325.87
IUPAC Name2-ethoxy-1,1-diiodoethane
SMILESCCOCC(I)I
InChIInChI=1S/C4H8I2O/c1-2-7-3-4(5)6/h4H,2-3H2,1H3
InChIKeyHLZYAOZGIRTVMY-UHFFFAOYSA-N
XLogP2.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.92
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethoxy-1,1-diiodoethane 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-ethoxy-1,1-diiodoethane?
The IUPAC name of 2-ethoxy-1,1-diiodoethane (CID 71340144) is 2-ethoxy-1,1-diiodoethane.
What is the SMILES notation for 2-ethoxy-1,1-diiodoethane?
The canonical SMILES for 2-ethoxy-1,1-diiodoethane is CCOCC(I)I.
What is the InChIKey of 2-ethoxy-1,1-diiodoethane?
The InChIKey is HLZYAOZGIRTVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8I2O/c1-2-7-3-4(5)6/h4H,2-3H2,1H3.
What are the key properties of 2-ethoxy-1,1-diiodoethane?
2-ethoxy-1,1-diiodoethane has a molecular weight of 325.92 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,1-diiodoethane is sourced from PubChem (CID 71340144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).