2,3-diiodobutane-1,4-diol

C4H8I2O2 — CID 134177181

IUPAC2,3-diiodobutane-1,4-diol
SMILESOCC(I)C(I)CO
InChIInChI=1S/C4H8I2O2/c5-3(1-7)4(6)2-8/h3-4,7-8H,1-2H2
InChIKeyVAIRTFNOOWCONG-UHFFFAOYSA-N
MW341.91 g/mol
LogP0.58
Rot. Bonds3

About 2,3-diiodobutane-1,4-diol

2,3-diiodobutane-1,4-diol (PubChem CID 134177181) has the molecular formula C4H8I2O2 and a molecular weight of 341.91 g/mol. Its IUPAC name is 2,3-diiodobutane-1,4-diol.

Molecular Properties

Compound Name2,3-diiodobutane-1,4-diol
PubChem CID134177181
Molecular FormulaC4H8I2O2
Molecular Weight341.91 g/mol
Exact Mass341.86
IUPAC Name2,3-diiodobutane-1,4-diol
SMILESOCC(I)C(I)CO
InChIInChI=1S/C4H8I2O2/c5-3(1-7)4(6)2-8/h3-4,7-8H,1-2H2
InChIKeyVAIRTFNOOWCONG-UHFFFAOYSA-N
XLogP0.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.91
LogP ≤ 50.58
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 2,3-diiodobutane-1,4-diol?
The IUPAC name of 2,3-diiodobutane-1,4-diol (CID 134177181) is 2,3-diiodobutane-1,4-diol.
What is the SMILES notation for 2,3-diiodobutane-1,4-diol?
The canonical SMILES for 2,3-diiodobutane-1,4-diol is OCC(I)C(I)CO.
What is the InChIKey of 2,3-diiodobutane-1,4-diol?
The InChIKey is VAIRTFNOOWCONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8I2O2/c5-3(1-7)4(6)2-8/h3-4,7-8H,1-2H2.
What are the key properties of 2,3-diiodobutane-1,4-diol?
2,3-diiodobutane-1,4-diol has a molecular weight of 341.91 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diiodobutane-1,4-diol is sourced from PubChem (CID 134177181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).