1,1,3,3,4,4-hexachlorobut-1-ene

C4H2Cl6 — CID 601666

IUPAC1,1,3,3,4,4-hexachlorobut-1-ene
SMILESClC(Cl)=CC(Cl)(Cl)C(Cl)Cl
InChIInChI=1S/C4H2Cl6/c5-2(6)1-4(9,10)3(7)8/h1,3H
InChIKeyABMSWFCHXPNDHQ-UHFFFAOYSA-N
MW262.78 g/mol
LogP4.28
Rot. Bonds2

About 1,1,3,3,4,4-hexachlorobut-1-ene

1,1,3,3,4,4-hexachlorobut-1-ene (PubChem CID 601666) has the molecular formula C4H2Cl6 and a molecular weight of 262.78 g/mol. Its IUPAC name is 1,1,3,3,4,4-hexachlorobut-1-ene.

Molecular Properties

Compound Name1,1,3,3,4,4-hexachlorobut-1-ene
PubChem CID601666
Molecular FormulaC4H2Cl6
Molecular Weight262.78 g/mol
Exact Mass259.83
IUPAC Name1,1,3,3,4,4-hexachlorobut-1-ene
SMILESClC(Cl)=CC(Cl)(Cl)C(Cl)Cl
InChIInChI=1S/C4H2Cl6/c5-2(6)1-4(9,10)3(7)8/h1,3H
InChIKeyABMSWFCHXPNDHQ-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,4,4-hexachlorobut-1-ene?
The IUPAC name of 1,1,3,3,4,4-hexachlorobut-1-ene (CID 601666) is 1,1,3,3,4,4-hexachlorobut-1-ene.
What is the SMILES notation for 1,1,3,3,4,4-hexachlorobut-1-ene?
The canonical SMILES for 1,1,3,3,4,4-hexachlorobut-1-ene is ClC(Cl)=CC(Cl)(Cl)C(Cl)Cl.
What is the InChIKey of 1,1,3,3,4,4-hexachlorobut-1-ene?
The InChIKey is ABMSWFCHXPNDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl6/c5-2(6)1-4(9,10)3(7)8/h1,3H.
What are the key properties of 1,1,3,3,4,4-hexachlorobut-1-ene?
1,1,3,3,4,4-hexachlorobut-1-ene has a molecular weight of 262.78 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,4,4-hexachlorobut-1-ene is sourced from PubChem (CID 601666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).