2,5-diiodohexa-2,4-diene

C6H8I2 — CID 71319210

IUPAC2,5-diiodohexa-2,4-diene
SMILESCC(I)=CC=C(C)I
InChIInChI=1S/C6H8I2/c1-5(7)3-4-6(2)8/h3-4H,1-2H3
InChIKeyKEBKRKULHKZFTR-UHFFFAOYSA-N
MW333.94 g/mol
LogP3.66
Rot. Bonds1

About 2,5-diiodohexa-2,4-diene

2,5-diiodohexa-2,4-diene (PubChem CID 71319210) has the molecular formula C6H8I2 and a molecular weight of 333.94 g/mol. Its IUPAC name is 2,5-diiodohexa-2,4-diene.

Molecular Properties

Compound Name2,5-diiodohexa-2,4-diene
PubChem CID71319210
Molecular FormulaC6H8I2
Molecular Weight333.94 g/mol
Exact Mass333.87
IUPAC Name2,5-diiodohexa-2,4-diene
SMILESCC(I)=CC=C(C)I
InChIInChI=1S/C6H8I2/c1-5(7)3-4-6(2)8/h3-4H,1-2H3
InChIKeyKEBKRKULHKZFTR-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.94
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-diiodohexa-2,4-diene?
The IUPAC name of 2,5-diiodohexa-2,4-diene (CID 71319210) is 2,5-diiodohexa-2,4-diene.
What is the SMILES notation for 2,5-diiodohexa-2,4-diene?
The canonical SMILES for 2,5-diiodohexa-2,4-diene is CC(I)=CC=C(C)I.
What is the InChIKey of 2,5-diiodohexa-2,4-diene?
The InChIKey is KEBKRKULHKZFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8I2/c1-5(7)3-4-6(2)8/h3-4H,1-2H3.
What are the key properties of 2,5-diiodohexa-2,4-diene?
2,5-diiodohexa-2,4-diene has a molecular weight of 333.94 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diiodohexa-2,4-diene is sourced from PubChem (CID 71319210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).