3,4-dibromohex-1-ene

C6H10Br2 — CID 54220873

IUPAC3,4-dibromohex-1-ene
SMILESC=CC(Br)C(Br)CC
InChIInChI=1S/C6H10Br2/c1-3-5(7)6(8)4-2/h3,5-6H,1,4H2,2H3
InChIKeyJIDWPAITGBATKS-UHFFFAOYSA-N
MW241.95 g/mol
LogP3.11
Rot. Bonds3

About 3,4-dibromohex-1-ene

3,4-dibromohex-1-ene (PubChem CID 54220873) has the molecular formula C6H10Br2 and a molecular weight of 241.95 g/mol. Its IUPAC name is 3,4-dibromohex-1-ene.

Molecular Properties

Compound Name3,4-dibromohex-1-ene
PubChem CID54220873
Molecular FormulaC6H10Br2
Molecular Weight241.95 g/mol
Exact Mass239.91
IUPAC Name3,4-dibromohex-1-ene
SMILESC=CC(Br)C(Br)CC
InChIInChI=1S/C6H10Br2/c1-3-5(7)6(8)4-2/h3,5-6H,1,4H2,2H3
InChIKeyJIDWPAITGBATKS-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
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 3,4-dibromohex-1-ene?
The IUPAC name of 3,4-dibromohex-1-ene (CID 54220873) is 3,4-dibromohex-1-ene.
What is the SMILES notation for 3,4-dibromohex-1-ene?
The canonical SMILES for 3,4-dibromohex-1-ene is C=CC(Br)C(Br)CC.
What is the InChIKey of 3,4-dibromohex-1-ene?
The InChIKey is JIDWPAITGBATKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Br2/c1-3-5(7)6(8)4-2/h3,5-6H,1,4H2,2H3.
What are the key properties of 3,4-dibromohex-1-ene?
3,4-dibromohex-1-ene has a molecular weight of 241.95 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromohex-1-ene is sourced from PubChem (CID 54220873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).