5,6-dibromohex-1-ene

C6H10Br2 — CID 2755398

IUPAC5,6-dibromohex-1-ene
SMILESC=CCCC(Br)CBr
InChIInChI=1S/C6H10Br2/c1-2-3-4-6(8)5-7/h2,6H,1,3-5H2
InChIKeyWFGDPUOTONXJOS-UHFFFAOYSA-N
MW241.95 g/mol
LogP3.11
Rot. Bonds4

About 5,6-dibromohex-1-ene

5,6-dibromohex-1-ene (PubChem CID 2755398) has the molecular formula C6H10Br2 and a molecular weight of 241.95 g/mol. Its IUPAC name is 5,6-dibromohex-1-ene.

Molecular Properties

Compound Name5,6-dibromohex-1-ene
PubChem CID2755398
Molecular FormulaC6H10Br2
Molecular Weight241.95 g/mol
Exact Mass239.91
IUPAC Name5,6-dibromohex-1-ene
SMILESC=CCCC(Br)CBr
InChIInChI=1S/C6H10Br2/c1-2-3-4-6(8)5-7/h2,6H,1,3-5H2
InChIKeyWFGDPUOTONXJOS-UHFFFAOYSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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 5,6-dibromohex-1-ene?
The IUPAC name of 5,6-dibromohex-1-ene (CID 2755398) is 5,6-dibromohex-1-ene.
What is the SMILES notation for 5,6-dibromohex-1-ene?
The canonical SMILES for 5,6-dibromohex-1-ene is C=CCCC(Br)CBr.
What is the InChIKey of 5,6-dibromohex-1-ene?
The InChIKey is WFGDPUOTONXJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Br2/c1-2-3-4-6(8)5-7/h2,6H,1,3-5H2.
What are the key properties of 5,6-dibromohex-1-ene?
5,6-dibromohex-1-ene has a molecular weight of 241.95 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromohex-1-ene is sourced from PubChem (CID 2755398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).