(1E,3E,5E)-1,6-dichlorohexa-1,3,5-triene

C6H6Cl2 — CID 6435083

IUPAC(1E,3E,5E)-1,6-dichlorohexa-1,3,5-triene
SMILESCl/C=C/C=C/C=C/Cl
InChIInChI=1S/C6H6Cl2/c7-5-3-1-2-4-6-8/h1-6H/b2-1+,5-3+,6-4+
InChIKeyGJACSAMFFJCNDX-CRQXNEITSA-N
MW149.02 g/mol
LogP3.05
Rot. Bonds2

About (1E,3E,5E)-1,6-dichlorohexa-1,3,5-triene

(1E,3E,5E)-1,6-dichlorohexa-1,3,5-triene (PubChem CID 6435083) has the molecular formula C6H6Cl2 and a molecular weight of 149.02 g/mol. Its IUPAC name is (1E,3E,5E)-1,6-dichlorohexa-1,3,5-triene.

Molecular Properties

Compound Name(1E,3E,5E)-1,6-dichlorohexa-1,3,5-triene
PubChem CID6435083
Molecular FormulaC6H6Cl2
Molecular Weight149.02 g/mol
Exact Mass147.98
IUPAC Name(1E,3E,5E)-1,6-dichlorohexa-1,3,5-triene
SMILESCl/C=C/C=C/C=C/Cl
InChIInChI=1S/C6H6Cl2/c7-5-3-1-2-4-6-8/h1-6H/b2-1+,5-3+,6-4+
InChIKeyGJACSAMFFJCNDX-CRQXNEITSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.02
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3E,5E)-1,6-dichlorohexa-1,3,5-triene?
The IUPAC name of (1E,3E,5E)-1,6-dichlorohexa-1,3,5-triene (CID 6435083) is (1E,3E,5E)-1,6-dichlorohexa-1,3,5-triene.
What is the SMILES notation for (1E,3E,5E)-1,6-dichlorohexa-1,3,5-triene?
The canonical SMILES for (1E,3E,5E)-1,6-dichlorohexa-1,3,5-triene is Cl/C=C/C=C/C=C/Cl.
What is the InChIKey of (1E,3E,5E)-1,6-dichlorohexa-1,3,5-triene?
The InChIKey is GJACSAMFFJCNDX-CRQXNEITSA-N. The full InChI is InChI=1S/C6H6Cl2/c7-5-3-1-2-4-6-8/h1-6H/b2-1+,5-3+,6-4+.
What are the key properties of (1E,3E,5E)-1,6-dichlorohexa-1,3,5-triene?
(1E,3E,5E)-1,6-dichlorohexa-1,3,5-triene has a molecular weight of 149.02 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5E)-1,6-dichlorohexa-1,3,5-triene is sourced from PubChem (CID 6435083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).