1,5-diiodopent-2-ene

C5H8I2 — CID 86111709

IUPAC1,5-diiodopent-2-ene
SMILESICC=CCCI
InChIInChI=1S/C5H8I2/c6-4-2-1-3-5-7/h1-2H,3-5H2
InChIKeyWRAPLSMVIWRDJP-UHFFFAOYSA-N
MW321.93 g/mol
LogP2.80
Rot. Bonds3

About 1,5-diiodopent-2-ene

1,5-diiodopent-2-ene (PubChem CID 86111709) has the molecular formula C5H8I2 and a molecular weight of 321.93 g/mol. Its IUPAC name is 1,5-diiodopent-2-ene.

Molecular Properties

Compound Name1,5-diiodopent-2-ene
PubChem CID86111709
Molecular FormulaC5H8I2
Molecular Weight321.93 g/mol
Exact Mass321.87
IUPAC Name1,5-diiodopent-2-ene
SMILESICC=CCCI
InChIInChI=1S/C5H8I2/c6-4-2-1-3-5-7/h1-2H,3-5H2
InChIKeyWRAPLSMVIWRDJP-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.93
LogP ≤ 52.80
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 1,5-diiodopent-2-ene?
The IUPAC name of 1,5-diiodopent-2-ene (CID 86111709) is 1,5-diiodopent-2-ene.
What is the SMILES notation for 1,5-diiodopent-2-ene?
The canonical SMILES for 1,5-diiodopent-2-ene is ICC=CCCI.
What is the InChIKey of 1,5-diiodopent-2-ene?
The InChIKey is WRAPLSMVIWRDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8I2/c6-4-2-1-3-5-7/h1-2H,3-5H2.
What are the key properties of 1,5-diiodopent-2-ene?
1,5-diiodopent-2-ene has a molecular weight of 321.93 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diiodopent-2-ene is sourced from PubChem (CID 86111709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).