1,4-diiodobut-1-ene

C4H6I2 — CID 54030701

IUPAC1,4-diiodobut-1-ene
SMILESIC=CCCI
InChIInChI=1S/C4H6I2/c5-3-1-2-4-6/h1,3H,2,4H2
InChIKeyLFJRAUDAHQSVSY-UHFFFAOYSA-N
MW307.90 g/mol
LogP2.76
Rot. Bonds2

About 1,4-diiodobut-1-ene

1,4-diiodobut-1-ene (PubChem CID 54030701) has the molecular formula C4H6I2 and a molecular weight of 307.90 g/mol. Its IUPAC name is 1,4-diiodobut-1-ene.

Molecular Properties

Compound Name1,4-diiodobut-1-ene
PubChem CID54030701
Molecular FormulaC4H6I2
Molecular Weight307.90 g/mol
Exact Mass307.86
IUPAC Name1,4-diiodobut-1-ene
SMILESIC=CCCI
InChIInChI=1S/C4H6I2/c5-3-1-2-4-6/h1,3H,2,4H2
InChIKeyLFJRAUDAHQSVSY-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'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-diiodobut-1-ene?
The IUPAC name of 1,4-diiodobut-1-ene (CID 54030701) is 1,4-diiodobut-1-ene.
What is the SMILES notation for 1,4-diiodobut-1-ene?
The canonical SMILES for 1,4-diiodobut-1-ene is IC=CCCI.
What is the InChIKey of 1,4-diiodobut-1-ene?
The InChIKey is LFJRAUDAHQSVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6I2/c5-3-1-2-4-6/h1,3H,2,4H2.
What are the key properties of 1,4-diiodobut-1-ene?
1,4-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 1,4-diiodobut-1-ene is sourced from PubChem (CID 54030701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).