(E)-1,6-diiodohex-3-ene

C6H10I2 — CID 119097403

IUPAC(E)-1,6-diiodohex-3-ene
SMILESICC/C=C/CCI
InChIInChI=1S/C6H10I2/c7-5-3-1-2-4-6-8/h1-2H,3-6H2/b2-1+
InChIKeyQYVYFVMDQLBJDX-OWOJBTEDSA-N
MW335.95 g/mol
LogP3.19
Rot. Bonds4

About (E)-1,6-diiodohex-3-ene

(E)-1,6-diiodohex-3-ene (PubChem CID 119097403) has the molecular formula C6H10I2 and a molecular weight of 335.95 g/mol. Its IUPAC name is (E)-1,6-diiodohex-3-ene.

Molecular Properties

Compound Name(E)-1,6-diiodohex-3-ene
PubChem CID119097403
Molecular FormulaC6H10I2
Molecular Weight335.95 g/mol
Exact Mass335.89
IUPAC Name(E)-1,6-diiodohex-3-ene
SMILESICC/C=C/CCI
InChIInChI=1S/C6H10I2/c7-5-3-1-2-4-6-8/h1-2H,3-6H2/b2-1+
InChIKeyQYVYFVMDQLBJDX-OWOJBTEDSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.95
LogP ≤ 53.19
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 (E)-1,6-diiodohex-3-ene?
The IUPAC name of (E)-1,6-diiodohex-3-ene (CID 119097403) is (E)-1,6-diiodohex-3-ene.
What is the SMILES notation for (E)-1,6-diiodohex-3-ene?
The canonical SMILES for (E)-1,6-diiodohex-3-ene is ICC/C=C/CCI.
What is the InChIKey of (E)-1,6-diiodohex-3-ene?
The InChIKey is QYVYFVMDQLBJDX-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H10I2/c7-5-3-1-2-4-6-8/h1-2H,3-6H2/b2-1+.
What are the key properties of (E)-1,6-diiodohex-3-ene?
(E)-1,6-diiodohex-3-ene has a molecular weight of 335.95 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,6-diiodohex-3-ene is sourced from PubChem (CID 119097403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).