4,4-diiodobut-1-ene

C4H6I2 — CID 86216225

IUPAC4,4-diiodobut-1-ene
SMILESC=CCC(I)I
InChIInChI=1S/C4H6I2/c1-2-3-4(5)6/h2,4H,1,3H2
InChIKeyQDGJQFFDYHBZKT-UHFFFAOYSA-N
MW307.90 g/mol
LogP2.76
Rot. Bonds2

About 4,4-diiodobut-1-ene

4,4-diiodobut-1-ene (PubChem CID 86216225) has the molecular formula C4H6I2 and a molecular weight of 307.90 g/mol. Its IUPAC name is 4,4-diiodobut-1-ene.

Molecular Properties

Compound Name4,4-diiodobut-1-ene
PubChem CID86216225
Molecular FormulaC4H6I2
Molecular Weight307.90 g/mol
Exact Mass307.86
IUPAC Name4,4-diiodobut-1-ene
SMILESC=CCC(I)I
InChIInChI=1S/C4H6I2/c1-2-3-4(5)6/h2,4H,1,3H2
InChIKeyQDGJQFFDYHBZKT-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.90
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 4,4-diiodobut-1-ene?
The IUPAC name of 4,4-diiodobut-1-ene (CID 86216225) is 4,4-diiodobut-1-ene.
What is the SMILES notation for 4,4-diiodobut-1-ene?
The canonical SMILES for 4,4-diiodobut-1-ene is C=CCC(I)I.
What is the InChIKey of 4,4-diiodobut-1-ene?
The InChIKey is QDGJQFFDYHBZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6I2/c1-2-3-4(5)6/h2,4H,1,3H2.
What are the key properties of 4,4-diiodobut-1-ene?
4,4-diiodobut-1-ene has a molecular weight of 307.90 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diiodobut-1-ene is sourced from PubChem (CID 86216225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).