(3E)-4-chloro-2-iodohexa-1,3,5-triene

C6H6ClI — CID 167082168

IUPAC(3E)-4-chloro-2-iodohexa-1,3,5-triene
SMILESC=C/C(Cl)=C\C(=C)I
InChIInChI=1S/C6H6ClI/c1-3-6(7)4-5(2)8/h3-4H,1-2H2/b6-4+
InChIKeyGHWKWJYHEMPYPA-GQCTYLIASA-N
MW240.47 g/mol
LogP3.24
Rot. Bonds2

About (3E)-4-chloro-2-iodohexa-1,3,5-triene

(3E)-4-chloro-2-iodohexa-1,3,5-triene (PubChem CID 167082168) has the molecular formula C6H6ClI and a molecular weight of 240.47 g/mol. Its IUPAC name is (3E)-4-chloro-2-iodohexa-1,3,5-triene.

Molecular Properties

Compound Name(3E)-4-chloro-2-iodohexa-1,3,5-triene
PubChem CID167082168
Molecular FormulaC6H6ClI
Molecular Weight240.47 g/mol
Exact Mass239.92
IUPAC Name(3E)-4-chloro-2-iodohexa-1,3,5-triene
SMILESC=C/C(Cl)=C\C(=C)I
InChIInChI=1S/C6H6ClI/c1-3-6(7)4-5(2)8/h3-4H,1-2H2/b6-4+
InChIKeyGHWKWJYHEMPYPA-GQCTYLIASA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.47
LogP ≤ 53.24
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3E)-4-chloro-2-iodohexa-1,3,5-triene?
The IUPAC name of (3E)-4-chloro-2-iodohexa-1,3,5-triene (CID 167082168) is (3E)-4-chloro-2-iodohexa-1,3,5-triene.
What is the SMILES notation for (3E)-4-chloro-2-iodohexa-1,3,5-triene?
The canonical SMILES for (3E)-4-chloro-2-iodohexa-1,3,5-triene is C=C/C(Cl)=C\C(=C)I.
What is the InChIKey of (3E)-4-chloro-2-iodohexa-1,3,5-triene?
The InChIKey is GHWKWJYHEMPYPA-GQCTYLIASA-N. The full InChI is InChI=1S/C6H6ClI/c1-3-6(7)4-5(2)8/h3-4H,1-2H2/b6-4+.
What are the key properties of (3E)-4-chloro-2-iodohexa-1,3,5-triene?
(3E)-4-chloro-2-iodohexa-1,3,5-triene has a molecular weight of 240.47 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-chloro-2-iodohexa-1,3,5-triene is sourced from PubChem (CID 167082168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).