3-ethyl-1,4-diiodohex-3-ene

C8H14I2 — CID 74078641

IUPAC3-ethyl-1,4-diiodohex-3-ene
SMILESCCC(I)=C(CC)CCI
InChIInChI=1S/C8H14I2/c1-3-7(5-6-9)8(10)4-2/h3-6H2,1-2H3
InChIKeyYWEONNCZDJCRET-UHFFFAOYSA-N
MW364.01 g/mol
LogP4.32
Rot. Bonds4

About 3-ethyl-1,4-diiodohex-3-ene

3-ethyl-1,4-diiodohex-3-ene (PubChem CID 74078641) has the molecular formula C8H14I2 and a molecular weight of 364.01 g/mol. Its IUPAC name is 3-ethyl-1,4-diiodohex-3-ene.

Molecular Properties

Compound Name3-ethyl-1,4-diiodohex-3-ene
PubChem CID74078641
Molecular FormulaC8H14I2
Molecular Weight364.01 g/mol
Exact Mass363.92
IUPAC Name3-ethyl-1,4-diiodohex-3-ene
SMILESCCC(I)=C(CC)CCI
InChIInChI=1S/C8H14I2/c1-3-7(5-6-9)8(10)4-2/h3-6H2,1-2H3
InChIKeyYWEONNCZDJCRET-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.01
LogP ≤ 54.32
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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Related Compounds

4-Iodo-5-(2-iodoethyl)oct-4-ene
CID 73118559
3-Ethyl-4-iodohex-3-ene
CID 86173719
(Z)-5-iodo-6-(2-iodoethyl)dec-5-ene
CID 10598197
(2Z,4Z)-2,5-diiodo-3,4-dimethylhexa-2,4-diene
CID 11013883
(E)-3-ethyl-1-iodohex-3-ene
CID 134902377
5-Iodo-2,3-dimethylpent-2-ene
CID 10537081
5-Iodo-2,6-dimethylhepta-1,5-diene
CID 58872598
1,4-Diiodo-2-methylcyclopentene
CID 89884343
2,3-Dimethylpent-2-ene;1,1,1-triiodoethane
CID 91544853
1-Iodopentan-2-ylidenecyclopropane
CID 124150704
1,2-Diiodo-3,4-dimethylcyclohexa-1,3-diene
CID 155236159
5,5-Diiodo-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 175431810

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,4-diiodohex-3-ene?
The IUPAC name of 3-ethyl-1,4-diiodohex-3-ene (CID 74078641) is 3-ethyl-1,4-diiodohex-3-ene.
What is the SMILES notation for 3-ethyl-1,4-diiodohex-3-ene?
The canonical SMILES for 3-ethyl-1,4-diiodohex-3-ene is CCC(I)=C(CC)CCI.
What is the InChIKey of 3-ethyl-1,4-diiodohex-3-ene?
The InChIKey is YWEONNCZDJCRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14I2/c1-3-7(5-6-9)8(10)4-2/h3-6H2,1-2H3.
What are the key properties of 3-ethyl-1,4-diiodohex-3-ene?
3-ethyl-1,4-diiodohex-3-ene has a molecular weight of 364.01 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,4-diiodohex-3-ene is sourced from PubChem (CID 74078641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).