(1E,5E)-1,7-dichlorohepta-1,5-diene

C7H10Cl2 — CID 55303187

IUPAC(1E,5E)-1,7-dichlorohepta-1,5-diene
SMILESCl/C=C/CC/C=C/CCl
InChIInChI=1S/C7H10Cl2/c8-6-4-2-1-3-5-7-9/h2,4-5,7H,1,3,6H2/b4-2+,7-5+
InChIKeyACPNUEFFGMYQAS-WSTKVMPZSA-N
MW165.06 g/mol
LogP3.31
Rot. Bonds4

About (1E,5E)-1,7-dichlorohepta-1,5-diene

(1E,5E)-1,7-dichlorohepta-1,5-diene (PubChem CID 55303187) has the molecular formula C7H10Cl2 and a molecular weight of 165.06 g/mol. Its IUPAC name is (1E,5E)-1,7-dichlorohepta-1,5-diene.

Molecular Properties

Compound Name(1E,5E)-1,7-dichlorohepta-1,5-diene
PubChem CID55303187
Molecular FormulaC7H10Cl2
Molecular Weight165.06 g/mol
Exact Mass164.02
IUPAC Name(1E,5E)-1,7-dichlorohepta-1,5-diene
SMILESCl/C=C/CC/C=C/CCl
InChIInChI=1S/C7H10Cl2/c8-6-4-2-1-3-5-7-9/h2,4-5,7H,1,3,6H2/b4-2+,7-5+
InChIKeyACPNUEFFGMYQAS-WSTKVMPZSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.06
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,5E)-1,7-dichlorohepta-1,5-diene?
The IUPAC name of (1E,5E)-1,7-dichlorohepta-1,5-diene (CID 55303187) is (1E,5E)-1,7-dichlorohepta-1,5-diene.
What is the SMILES notation for (1E,5E)-1,7-dichlorohepta-1,5-diene?
The canonical SMILES for (1E,5E)-1,7-dichlorohepta-1,5-diene is Cl/C=C/CC/C=C/CCl.
What is the InChIKey of (1E,5E)-1,7-dichlorohepta-1,5-diene?
The InChIKey is ACPNUEFFGMYQAS-WSTKVMPZSA-N. The full InChI is InChI=1S/C7H10Cl2/c8-6-4-2-1-3-5-7-9/h2,4-5,7H,1,3,6H2/b4-2+,7-5+.
What are the key properties of (1E,5E)-1,7-dichlorohepta-1,5-diene?
(1E,5E)-1,7-dichlorohepta-1,5-diene has a molecular weight of 165.06 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5E)-1,7-dichlorohepta-1,5-diene is sourced from PubChem (CID 55303187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).