(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'}

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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).