2,3-dibromohex-1-ene

C6H10Br2 — CID 23328791

IUPAC2,3-dibromohex-1-ene
SMILESC=C(Br)C(Br)CCC
InChIInChI=1S/C6H10Br2/c1-3-4-6(8)5(2)7/h6H,2-4H2,1H3
InChIKeyWKRAPHQGGAHVBX-UHFFFAOYSA-N
MW241.95 g/mol
LogP3.46
Rot. Bonds3

About 2,3-dibromohex-1-ene

2,3-dibromohex-1-ene (PubChem CID 23328791) has the molecular formula C6H10Br2 and a molecular weight of 241.95 g/mol. Its IUPAC name is 2,3-dibromohex-1-ene.

Molecular Properties

Compound Name2,3-dibromohex-1-ene
PubChem CID23328791
Molecular FormulaC6H10Br2
Molecular Weight241.95 g/mol
Exact Mass239.91
IUPAC Name2,3-dibromohex-1-ene
SMILESC=C(Br)C(Br)CCC
InChIInChI=1S/C6H10Br2/c1-3-4-6(8)5(2)7/h6H,2-4H2,1H3
InChIKeyWKRAPHQGGAHVBX-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.95
LogP ≤ 53.46
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 2,3-dibromohex-1-ene?
The IUPAC name of 2,3-dibromohex-1-ene (CID 23328791) is 2,3-dibromohex-1-ene.
What is the SMILES notation for 2,3-dibromohex-1-ene?
The canonical SMILES for 2,3-dibromohex-1-ene is C=C(Br)C(Br)CCC.
What is the InChIKey of 2,3-dibromohex-1-ene?
The InChIKey is WKRAPHQGGAHVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Br2/c1-3-4-6(8)5(2)7/h6H,2-4H2,1H3.
What are the key properties of 2,3-dibromohex-1-ene?
2,3-dibromohex-1-ene has a molecular weight of 241.95 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromohex-1-ene is sourced from PubChem (CID 23328791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).