1,6-diiodohex-3-ene

C6H10I2 — CID 71323880

IUPAC1,6-diiodohex-3-ene
SMILESICCC=CCCI
InChIInChI=1S/C6H10I2/c7-5-3-1-2-4-6-8/h1-2H,3-6H2
InChIKeyQYVYFVMDQLBJDX-UHFFFAOYSA-N
MW335.95 g/mol
LogP3.19
Rot. Bonds4

About 1,6-diiodohex-3-ene

1,6-diiodohex-3-ene (PubChem CID 71323880) has the molecular formula C6H10I2 and a molecular weight of 335.95 g/mol. Its IUPAC name is 1,6-diiodohex-3-ene.

Molecular Properties

Compound Name1,6-diiodohex-3-ene
PubChem CID71323880
Molecular FormulaC6H10I2
Molecular Weight335.95 g/mol
Exact Mass335.89
IUPAC Name1,6-diiodohex-3-ene
SMILESICCC=CCCI
InChIInChI=1S/C6H10I2/c7-5-3-1-2-4-6-8/h1-2H,3-6H2
InChIKeyQYVYFVMDQLBJDX-UHFFFAOYSA-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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Related Compounds

6-Iodo-2-hexene
CID 11074645
(2E)-5-Iodo-2-pentene
CID 11030715
(2Z)-5-Iodo-2-pentene
CID 11412920
1,4-Cyclohexadiene, 6-iodo
CID 527566
(2Z)-1-Iodo-2-pentene
CID 13297821
(E)-4-Iodo-2-pentene
CID 19000793
(3E)-6-iodohexa-1,3-diene
CID 11009121
(Z)-1-iodohex-3-ene
CID 10987521
e-3-Iodo-3-hexene
CID 11264277
(Z)-7-iodohept-3-ene
CID 15059700
3-Iodohex-3-ene
CID 53715748
(Z)-1,3-diiodopent-2-ene
CID 59097701

Frequently Asked Questions

What is the IUPAC name of 1,6-diiodohex-3-ene?
The IUPAC name of 1,6-diiodohex-3-ene (CID 71323880) is 1,6-diiodohex-3-ene.
What is the SMILES notation for 1,6-diiodohex-3-ene?
The canonical SMILES for 1,6-diiodohex-3-ene is ICCC=CCCI.
What is the InChIKey of 1,6-diiodohex-3-ene?
The InChIKey is QYVYFVMDQLBJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10I2/c7-5-3-1-2-4-6-8/h1-2H,3-6H2.
What are the key properties of 1,6-diiodohex-3-ene?
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 1,6-diiodohex-3-ene is sourced from PubChem (CID 71323880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).