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

C4H6Br2 — CID 14316427

IUPAC(E)-1,4-dibromobut-1-ene
SMILESBr/C=C/CCBr
InChIInChI=1S/C4H6Br2/c5-3-1-2-4-6/h1,3H,2,4H2/b3-1+
InChIKeyLJVHJHLTRBXGMH-HNQUOIGGSA-N
MW213.90 g/mol
LogP2.68
Rot. Bonds2

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

(E)-1,4-dibromobut-1-ene (PubChem CID 14316427) has the molecular formula C4H6Br2 and a molecular weight of 213.90 g/mol. Its IUPAC name is (E)-1,4-dibromobut-1-ene.

Molecular Properties

Compound Name(E)-1,4-dibromobut-1-ene
PubChem CID14316427
Molecular FormulaC4H6Br2
Molecular Weight213.90 g/mol
Exact Mass211.88
IUPAC Name(E)-1,4-dibromobut-1-ene
SMILESBr/C=C/CCBr
InChIInChI=1S/C4H6Br2/c5-3-1-2-4-6/h1,3H,2,4H2/b3-1+
InChIKeyLJVHJHLTRBXGMH-HNQUOIGGSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.90
LogP ≤ 52.68
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-dibromobut-1-ene?
The IUPAC name of (E)-1,4-dibromobut-1-ene (CID 14316427) is (E)-1,4-dibromobut-1-ene.
What is the SMILES notation for (E)-1,4-dibromobut-1-ene?
The canonical SMILES for (E)-1,4-dibromobut-1-ene is Br/C=C/CCBr.
What is the InChIKey of (E)-1,4-dibromobut-1-ene?
The InChIKey is LJVHJHLTRBXGMH-HNQUOIGGSA-N. The full InChI is InChI=1S/C4H6Br2/c5-3-1-2-4-6/h1,3H,2,4H2/b3-1+.
What are the key properties of (E)-1,4-dibromobut-1-ene?
(E)-1,4-dibromobut-1-ene has a molecular weight of 213.90 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,4-dibromobut-1-ene is sourced from PubChem (CID 14316427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).