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

C6H8Cl2 — CID 57312135

IUPAC(4E)-1,1-dichlorohexa-1,4-diene
SMILESC/C=C/CC=C(Cl)Cl
InChIInChI=1S/C6H8Cl2/c1-2-3-4-5-6(7)8/h2-3,5H,4H2,1H3/b3-2+
InChIKeyZRXSOHMVOAGKHL-NSCUHMNNSA-N
MW151.04 g/mol
LogP3.27
Rot. Bonds2

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

(4E)-1,1-dichlorohexa-1,4-diene (PubChem CID 57312135) has the molecular formula C6H8Cl2 and a molecular weight of 151.04 g/mol. Its IUPAC name is (4E)-1,1-dichlorohexa-1,4-diene.

Molecular Properties

Compound Name(4E)-1,1-dichlorohexa-1,4-diene
PubChem CID57312135
Molecular FormulaC6H8Cl2
Molecular Weight151.04 g/mol
Exact Mass150.00
IUPAC Name(4E)-1,1-dichlorohexa-1,4-diene
SMILESC/C=C/CC=C(Cl)Cl
InChIInChI=1S/C6H8Cl2/c1-2-3-4-5-6(7)8/h2-3,5H,4H2,1H3/b3-2+
InChIKeyZRXSOHMVOAGKHL-NSCUHMNNSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-1,1-dichlorohexa-1,4-diene?
The IUPAC name of (4E)-1,1-dichlorohexa-1,4-diene (CID 57312135) is (4E)-1,1-dichlorohexa-1,4-diene.
What is the SMILES notation for (4E)-1,1-dichlorohexa-1,4-diene?
The canonical SMILES for (4E)-1,1-dichlorohexa-1,4-diene is C/C=C/CC=C(Cl)Cl.
What is the InChIKey of (4E)-1,1-dichlorohexa-1,4-diene?
The InChIKey is ZRXSOHMVOAGKHL-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H8Cl2/c1-2-3-4-5-6(7)8/h2-3,5H,4H2,1H3/b3-2+.
What are the key properties of (4E)-1,1-dichlorohexa-1,4-diene?
(4E)-1,1-dichlorohexa-1,4-diene has a molecular weight of 151.04 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-1,1-dichlorohexa-1,4-diene is sourced from PubChem (CID 57312135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).