1,3-dibromopent-2-ene

C5H8Br2 — CID 53427811

IUPAC1,3-dibromopent-2-ene
SMILESCCC(Br)=CCBr
InChIInChI=1S/C5H8Br2/c1-2-5(7)3-4-6/h3H,2,4H2,1H3
InChIKeyBFYFTEZSAVFSKY-UHFFFAOYSA-N
MW227.93 g/mol
LogP3.07
Rot. Bonds2

About 1,3-dibromopent-2-ene

1,3-dibromopent-2-ene (PubChem CID 53427811) has the molecular formula C5H8Br2 and a molecular weight of 227.93 g/mol. Its IUPAC name is 1,3-dibromopent-2-ene.

Molecular Properties

Compound Name1,3-dibromopent-2-ene
PubChem CID53427811
Molecular FormulaC5H8Br2
Molecular Weight227.93 g/mol
Exact Mass225.90
IUPAC Name1,3-dibromopent-2-ene
SMILESCCC(Br)=CCBr
InChIInChI=1S/C5H8Br2/c1-2-5(7)3-4-6/h3H,2,4H2,1H3
InChIKeyBFYFTEZSAVFSKY-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
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 1,3-dibromopent-2-ene?
The IUPAC name of 1,3-dibromopent-2-ene (CID 53427811) is 1,3-dibromopent-2-ene.
What is the SMILES notation for 1,3-dibromopent-2-ene?
The canonical SMILES for 1,3-dibromopent-2-ene is CCC(Br)=CCBr.
What is the InChIKey of 1,3-dibromopent-2-ene?
The InChIKey is BFYFTEZSAVFSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Br2/c1-2-5(7)3-4-6/h3H,2,4H2,1H3.
What are the key properties of 1,3-dibromopent-2-ene?
1,3-dibromopent-2-ene has a molecular weight of 227.93 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromopent-2-ene is sourced from PubChem (CID 53427811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).