1-ethoxy-1,2-diiodoethane

C4H8I2O — CID 18403941

IUPAC1-ethoxy-1,2-diiodoethane
SMILESCCOC(I)CI
InChIInChI=1S/C4H8I2O/c1-2-7-4(6)3-5/h4H,2-3H2,1H3
InChIKeyXLVIPMMUABASNG-UHFFFAOYSA-N
MW325.92 g/mol
LogP2.22
Rot. Bonds3

About 1-ethoxy-1,2-diiodoethane

1-ethoxy-1,2-diiodoethane (PubChem CID 18403941) has the molecular formula C4H8I2O and a molecular weight of 325.92 g/mol. Its IUPAC name is 1-ethoxy-1,2-diiodoethane.

Molecular Properties

Compound Name1-ethoxy-1,2-diiodoethane
PubChem CID18403941
Molecular FormulaC4H8I2O
Molecular Weight325.92 g/mol
Exact Mass325.87
IUPAC Name1-ethoxy-1,2-diiodoethane
SMILESCCOC(I)CI
InChIInChI=1S/C4H8I2O/c1-2-7-4(6)3-5/h4H,2-3H2,1H3
InChIKeyXLVIPMMUABASNG-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1,2-diiodoethane?
The IUPAC name of 1-ethoxy-1,2-diiodoethane (CID 18403941) is 1-ethoxy-1,2-diiodoethane.
What is the SMILES notation for 1-ethoxy-1,2-diiodoethane?
The canonical SMILES for 1-ethoxy-1,2-diiodoethane is CCOC(I)CI.
What is the InChIKey of 1-ethoxy-1,2-diiodoethane?
The InChIKey is XLVIPMMUABASNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8I2O/c1-2-7-4(6)3-5/h4H,2-3H2,1H3.
What are the key properties of 1-ethoxy-1,2-diiodoethane?
1-ethoxy-1,2-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 1-ethoxy-1,2-diiodoethane is sourced from PubChem (CID 18403941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).