(4E)-3,3-dichlorohexa-1,4-diene

C6H8Cl2 — CID 57160396

IUPAC(4E)-3,3-dichlorohexa-1,4-diene
SMILESC=CC(Cl)(Cl)/C=C/C
InChIInChI=1S/C6H8Cl2/c1-3-5-6(7,8)4-2/h3-5H,2H2,1H3/b5-3+
InChIKeyKWWZRYQTZVXSSB-HWKANZROSA-N
MW151.04 g/mol
LogP2.92
Rot. Bonds2

About (4E)-3,3-dichlorohexa-1,4-diene

(4E)-3,3-dichlorohexa-1,4-diene (PubChem CID 57160396) has the molecular formula C6H8Cl2 and a molecular weight of 151.04 g/mol. Its IUPAC name is (4E)-3,3-dichlorohexa-1,4-diene.

Molecular Properties

Compound Name(4E)-3,3-dichlorohexa-1,4-diene
PubChem CID57160396
Molecular FormulaC6H8Cl2
Molecular Weight151.04 g/mol
Exact Mass150.00
IUPAC Name(4E)-3,3-dichlorohexa-1,4-diene
SMILESC=CC(Cl)(Cl)/C=C/C
InChIInChI=1S/C6H8Cl2/c1-3-5-6(7,8)4-2/h3-5H,2H2,1H3/b5-3+
InChIKeyKWWZRYQTZVXSSB-HWKANZROSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.04
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 (4E)-3,3-dichlorohexa-1,4-diene?
The IUPAC name of (4E)-3,3-dichlorohexa-1,4-diene (CID 57160396) is (4E)-3,3-dichlorohexa-1,4-diene.
What is the SMILES notation for (4E)-3,3-dichlorohexa-1,4-diene?
The canonical SMILES for (4E)-3,3-dichlorohexa-1,4-diene is C=CC(Cl)(Cl)/C=C/C.
What is the InChIKey of (4E)-3,3-dichlorohexa-1,4-diene?
The InChIKey is KWWZRYQTZVXSSB-HWKANZROSA-N. The full InChI is InChI=1S/C6H8Cl2/c1-3-5-6(7,8)4-2/h3-5H,2H2,1H3/b5-3+.
What are the key properties of (4E)-3,3-dichlorohexa-1,4-diene?
(4E)-3,3-dichlorohexa-1,4-diene has a molecular weight of 151.04 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3,3-dichlorohexa-1,4-diene is sourced from PubChem (CID 57160396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).