(E)-1,4-dichlorobut-1-ene

C4H6Cl2 — CID 5366899

IUPAC(E)-1,4-dichlorobut-1-ene
SMILESCl/C=C/CCCl
InChIInChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1,3H,2,4H2/b3-1+
InChIKeySWSOIFQIPTXLOI-HNQUOIGGSA-N
MW125.00 g/mol
LogP2.37
Rot. Bonds2

About (E)-1,4-dichlorobut-1-ene

(E)-1,4-dichlorobut-1-ene (PubChem CID 5366899) has the molecular formula C4H6Cl2 and a molecular weight of 125.00 g/mol. Its IUPAC name is (E)-1,4-dichlorobut-1-ene.

Molecular Properties

Compound Name(E)-1,4-dichlorobut-1-ene
PubChem CID5366899
Molecular FormulaC4H6Cl2
Molecular Weight125.00 g/mol
Exact Mass123.98
IUPAC Name(E)-1,4-dichlorobut-1-ene
SMILESCl/C=C/CCCl
InChIInChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1,3H,2,4H2/b3-1+
InChIKeySWSOIFQIPTXLOI-HNQUOIGGSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.00
LogP ≤ 52.37
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 (E)-1,4-dichlorobut-1-ene?
The IUPAC name of (E)-1,4-dichlorobut-1-ene (CID 5366899) is (E)-1,4-dichlorobut-1-ene.
What is the SMILES notation for (E)-1,4-dichlorobut-1-ene?
The canonical SMILES for (E)-1,4-dichlorobut-1-ene is Cl/C=C/CCCl.
What is the InChIKey of (E)-1,4-dichlorobut-1-ene?
The InChIKey is SWSOIFQIPTXLOI-HNQUOIGGSA-N. The full InChI is InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1,3H,2,4H2/b3-1+.
What are the key properties of (E)-1,4-dichlorobut-1-ene?
(E)-1,4-dichlorobut-1-ene has a molecular weight of 125.00 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,4-dichlorobut-1-ene is sourced from PubChem (CID 5366899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).