(1E,3Z)-1-iodohexa-1,3,5-triene

C6H7I — CID 87688168

IUPAC(1E,3Z)-1-iodohexa-1,3,5-triene
SMILESC=C/C=C\C=C\I
InChIInChI=1S/C6H7I/c1-2-3-4-5-6-7/h2-6H,1H2/b4-3-,6-5+
InChIKeyAGMNSXZQPHDUCC-DNVGVPOPSA-N
MW206.03 g/mol
LogP2.68
Rot. Bonds2

About (1E,3Z)-1-iodohexa-1,3,5-triene

(1E,3Z)-1-iodohexa-1,3,5-triene (PubChem CID 87688168) has the molecular formula C6H7I and a molecular weight of 206.03 g/mol. Its IUPAC name is (1E,3Z)-1-iodohexa-1,3,5-triene.

Molecular Properties

Compound Name(1E,3Z)-1-iodohexa-1,3,5-triene
PubChem CID87688168
Molecular FormulaC6H7I
Molecular Weight206.03 g/mol
Exact Mass205.96
IUPAC Name(1E,3Z)-1-iodohexa-1,3,5-triene
SMILESC=C/C=C\C=C\I
InChIInChI=1S/C6H7I/c1-2-3-4-5-6-7/h2-6H,1H2/b4-3-,6-5+
InChIKeyAGMNSXZQPHDUCC-DNVGVPOPSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.03
LogP ≤ 52.68
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'}

Analyze (1E,3Z)-1-iodohexa-1,3,5-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 15379303
(1E,3E,5E)-1-iodo-7,7-dimethylocta-1,3,5-triene
CID 11118859
(1Z,3Z)-N-[(1Z)-buta-1,3-dienyl]-N-methylhexa-1,3,5-trien-1-amine
CID 163917439
nona-2,4,6,8-tetraenylideneazanium
CID 91117301
(1E,3E)-hexa-1,3,5-trien-1-amine
CID 19883152
(3Z,5Z,7Z)-nona-1,3,5,7-tetraene
CID 142107370
hendecahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109-pentapentacontaene
CID 90980447
pentahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103-dopentacontaene
CID 90936747
pentahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63-dotriacontaene
CID 90694623
(1Z,3Z)-hexa-1,3,5-triene-1-thiol
CID 126746240
(1E,3E,5E)-octa-1,3,5,7-tetraen-1-amine
CID 102095281
pentacosahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123-dohexacontaene
CID 91034830

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-iodohexa-1,3,5-triene?
The IUPAC name of (1E,3Z)-1-iodohexa-1,3,5-triene (CID 87688168) is (1E,3Z)-1-iodohexa-1,3,5-triene.
What is the SMILES notation for (1E,3Z)-1-iodohexa-1,3,5-triene?
The canonical SMILES for (1E,3Z)-1-iodohexa-1,3,5-triene is C=C/C=C\C=C\I.
What is the InChIKey of (1E,3Z)-1-iodohexa-1,3,5-triene?
The InChIKey is AGMNSXZQPHDUCC-DNVGVPOPSA-N. The full InChI is InChI=1S/C6H7I/c1-2-3-4-5-6-7/h2-6H,1H2/b4-3-,6-5+.
What are the key properties of (1E,3Z)-1-iodohexa-1,3,5-triene?
(1E,3Z)-1-iodohexa-1,3,5-triene has a molecular weight of 206.03 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-iodohexa-1,3,5-triene is sourced from PubChem (CID 87688168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).