(E)-1,3-dichlorobut-1-ene

C4H6Cl2 — CID 12632711

IUPAC(E)-1,3-dichlorobut-1-ene
SMILESCC(Cl)/C=C/Cl
InChIInChI=1S/C4H6Cl2/c1-4(6)2-3-5/h2-4H,1H3/b3-2+
InChIKeyGVNNGJMKAFLSHZ-NSCUHMNNSA-N
MW125.00 g/mol
LogP2.37
Rot. Bonds1

About (E)-1,3-dichlorobut-1-ene

(E)-1,3-dichlorobut-1-ene (PubChem CID 12632711) has the molecular formula C4H6Cl2 and a molecular weight of 125.00 g/mol. Its IUPAC name is (E)-1,3-dichlorobut-1-ene.

Molecular Properties

Compound Name(E)-1,3-dichlorobut-1-ene
PubChem CID12632711
Molecular FormulaC4H6Cl2
Molecular Weight125.00 g/mol
Exact Mass123.98
IUPAC Name(E)-1,3-dichlorobut-1-ene
SMILESCC(Cl)/C=C/Cl
InChIInChI=1S/C4H6Cl2/c1-4(6)2-3-5/h2-4H,1H3/b3-2+
InChIKeyGVNNGJMKAFLSHZ-NSCUHMNNSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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)-1,3-dichlorobut-1-ene?
The IUPAC name of (E)-1,3-dichlorobut-1-ene (CID 12632711) is (E)-1,3-dichlorobut-1-ene.
What is the SMILES notation for (E)-1,3-dichlorobut-1-ene?
The canonical SMILES for (E)-1,3-dichlorobut-1-ene is CC(Cl)/C=C/Cl.
What is the InChIKey of (E)-1,3-dichlorobut-1-ene?
The InChIKey is GVNNGJMKAFLSHZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H6Cl2/c1-4(6)2-3-5/h2-4H,1H3/b3-2+.
What are the key properties of (E)-1,3-dichlorobut-1-ene?
(E)-1,3-dichlorobut-1-ene has a molecular weight of 125.00 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3-dichlorobut-1-ene is sourced from PubChem (CID 12632711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).