(E)-1,4-dibromopent-2-ene

C5H8Br2 — CID 11183765

IUPAC(E)-1,4-dibromopent-2-ene
SMILESCC(Br)/C=C/CBr
InChIInChI=1S/C5H8Br2/c1-5(7)3-2-4-6/h2-3,5H,4H2,1H3/b3-2+
InChIKeyTTWRDHJRYYHEKD-NSCUHMNNSA-N
MW227.93 g/mol
LogP2.72
Rot. Bonds2

About (E)-1,4-dibromopent-2-ene

(E)-1,4-dibromopent-2-ene (PubChem CID 11183765) has the molecular formula C5H8Br2 and a molecular weight of 227.93 g/mol. Its IUPAC name is (E)-1,4-dibromopent-2-ene.

Molecular Properties

Compound Name(E)-1,4-dibromopent-2-ene
PubChem CID11183765
Molecular FormulaC5H8Br2
Molecular Weight227.93 g/mol
Exact Mass225.90
IUPAC Name(E)-1,4-dibromopent-2-ene
SMILESCC(Br)/C=C/CBr
InChIInChI=1S/C5H8Br2/c1-5(7)3-2-4-6/h2-3,5H,4H2,1H3/b3-2+
InChIKeyTTWRDHJRYYHEKD-NSCUHMNNSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.93
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1,4-dibromopent-2-ene?
The IUPAC name of (E)-1,4-dibromopent-2-ene (CID 11183765) is (E)-1,4-dibromopent-2-ene.
What is the SMILES notation for (E)-1,4-dibromopent-2-ene?
The canonical SMILES for (E)-1,4-dibromopent-2-ene is CC(Br)/C=C/CBr.
What is the InChIKey of (E)-1,4-dibromopent-2-ene?
The InChIKey is TTWRDHJRYYHEKD-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H8Br2/c1-5(7)3-2-4-6/h2-3,5H,4H2,1H3/b3-2+.
What are the key properties of (E)-1,4-dibromopent-2-ene?
(E)-1,4-dibromopent-2-ene has a molecular weight of 227.93 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,4-dibromopent-2-ene is sourced from PubChem (CID 11183765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).