(3Z,5E)-2,6-dichlorohepta-1,3,5-triene

C7H8Cl2 — CID 89197889

IUPAC(3Z,5E)-2,6-dichlorohepta-1,3,5-triene
SMILESC=C(Cl)/C=C\C=C(/C)Cl
InChIInChI=1S/C7H8Cl2/c1-6(8)4-3-5-7(2)9/h3-5H,1H2,2H3/b4-3-,7-5+
InChIKeyFIDUHAPVNXNPQM-QVXLNCAUSA-N
MW163.05 g/mol
LogP3.44
Rot. Bonds2

About (3Z,5E)-2,6-dichlorohepta-1,3,5-triene

(3Z,5E)-2,6-dichlorohepta-1,3,5-triene (PubChem CID 89197889) has the molecular formula C7H8Cl2 and a molecular weight of 163.05 g/mol. Its IUPAC name is (3Z,5E)-2,6-dichlorohepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-2,6-dichlorohepta-1,3,5-triene
PubChem CID89197889
Molecular FormulaC7H8Cl2
Molecular Weight163.05 g/mol
Exact Mass162.00
IUPAC Name(3Z,5E)-2,6-dichlorohepta-1,3,5-triene
SMILESC=C(Cl)/C=C\C=C(/C)Cl
InChIInChI=1S/C7H8Cl2/c1-6(8)4-3-5-7(2)9/h3-5H,1H2,2H3/b4-3-,7-5+
InChIKeyFIDUHAPVNXNPQM-QVXLNCAUSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.05
LogP ≤ 53.44
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 (3Z,5E)-2,6-dichlorohepta-1,3,5-triene?
The IUPAC name of (3Z,5E)-2,6-dichlorohepta-1,3,5-triene (CID 89197889) is (3Z,5E)-2,6-dichlorohepta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-2,6-dichlorohepta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-2,6-dichlorohepta-1,3,5-triene is C=C(Cl)/C=C\C=C(/C)Cl.
What is the InChIKey of (3Z,5E)-2,6-dichlorohepta-1,3,5-triene?
The InChIKey is FIDUHAPVNXNPQM-QVXLNCAUSA-N. The full InChI is InChI=1S/C7H8Cl2/c1-6(8)4-3-5-7(2)9/h3-5H,1H2,2H3/b4-3-,7-5+.
What are the key properties of (3Z,5E)-2,6-dichlorohepta-1,3,5-triene?
(3Z,5E)-2,6-dichlorohepta-1,3,5-triene has a molecular weight of 163.05 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-2,6-dichlorohepta-1,3,5-triene is sourced from PubChem (CID 89197889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).