1,2-diiodoethane-1,2-diol

C2H4I2O2 — CID 154486682

IUPAC1,2-diiodoethane-1,2-diol
SMILESOC(I)C(O)I
InChIInChI=1S/C2H4I2O2/c3-1(5)2(4)6/h1-2,5-6H
InChIKeyWJYXMOGWJLAQQL-UHFFFAOYSA-N
MW313.86 g/mol
LogP0.49
Rot. Bonds1

About 1,2-diiodoethane-1,2-diol

1,2-diiodoethane-1,2-diol (PubChem CID 154486682) has the molecular formula C2H4I2O2 and a molecular weight of 313.86 g/mol. Its IUPAC name is 1,2-diiodoethane-1,2-diol.

Molecular Properties

Compound Name1,2-diiodoethane-1,2-diol
PubChem CID154486682
Molecular FormulaC2H4I2O2
Molecular Weight313.86 g/mol
Exact Mass313.83
IUPAC Name1,2-diiodoethane-1,2-diol
SMILESOC(I)C(O)I
InChIInChI=1S/C2H4I2O2/c3-1(5)2(4)6/h1-2,5-6H
InChIKeyWJYXMOGWJLAQQL-UHFFFAOYSA-N
XLogP0.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.86
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1,2-diiodoethane-1,2-diol?
The IUPAC name of 1,2-diiodoethane-1,2-diol (CID 154486682) is 1,2-diiodoethane-1,2-diol.
What is the SMILES notation for 1,2-diiodoethane-1,2-diol?
The canonical SMILES for 1,2-diiodoethane-1,2-diol is OC(I)C(O)I.
What is the InChIKey of 1,2-diiodoethane-1,2-diol?
The InChIKey is WJYXMOGWJLAQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4I2O2/c3-1(5)2(4)6/h1-2,5-6H.
What are the key properties of 1,2-diiodoethane-1,2-diol?
1,2-diiodoethane-1,2-diol has a molecular weight of 313.86 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diiodoethane-1,2-diol is sourced from PubChem (CID 154486682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).