1,1-diiodobut-2-ene-1,4-diol

C4H6I2O2 — CID 173463126

IUPAC1,1-diiodobut-2-ene-1,4-diol
SMILESOCC=CC(O)(I)I
InChIInChI=1S/C4H6I2O2/c5-4(6,8)2-1-3-7/h1-2,7-8H,3H2
InChIKeyVKRQAFIBUFZABM-UHFFFAOYSA-N
MW339.90 g/mol
LogP1.05
Rot. Bonds2

About 1,1-diiodobut-2-ene-1,4-diol

1,1-diiodobut-2-ene-1,4-diol (PubChem CID 173463126) has the molecular formula C4H6I2O2 and a molecular weight of 339.90 g/mol. Its IUPAC name is 1,1-diiodobut-2-ene-1,4-diol.

Molecular Properties

Compound Name1,1-diiodobut-2-ene-1,4-diol
PubChem CID173463126
Molecular FormulaC4H6I2O2
Molecular Weight339.90 g/mol
Exact Mass339.85
IUPAC Name1,1-diiodobut-2-ene-1,4-diol
SMILESOCC=CC(O)(I)I
InChIInChI=1S/C4H6I2O2/c5-4(6,8)2-1-3-7/h1-2,7-8H,3H2
InChIKeyVKRQAFIBUFZABM-UHFFFAOYSA-N
XLogP1.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.90
LogP ≤ 51.05
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-diiodobut-2-ene-1,4-diol?
The IUPAC name of 1,1-diiodobut-2-ene-1,4-diol (CID 173463126) is 1,1-diiodobut-2-ene-1,4-diol.
What is the SMILES notation for 1,1-diiodobut-2-ene-1,4-diol?
The canonical SMILES for 1,1-diiodobut-2-ene-1,4-diol is OCC=CC(O)(I)I.
What is the InChIKey of 1,1-diiodobut-2-ene-1,4-diol?
The InChIKey is VKRQAFIBUFZABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6I2O2/c5-4(6,8)2-1-3-7/h1-2,7-8H,3H2.
What are the key properties of 1,1-diiodobut-2-ene-1,4-diol?
1,1-diiodobut-2-ene-1,4-diol has a molecular weight of 339.90 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diiodobut-2-ene-1,4-diol is sourced from PubChem (CID 173463126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).