5,6-dibromo-5-ethenylcyclohexa-1,3-diene

C8H8Br2 — CID 22495076

IUPAC5,6-dibromo-5-ethenylcyclohexa-1,3-diene
SMILESC=CC1(Br)C=CC=CC1Br
InChIInChI=1S/C8H8Br2/c1-2-8(10)6-4-3-5-7(8)9/h2-7H,1H2
InChIKeyJKEDEYQOTZWODW-UHFFFAOYSA-N
MW263.96 g/mol
LogP3.20
Rot. Bonds1

About 5,6-dibromo-5-ethenylcyclohexa-1,3-diene

5,6-dibromo-5-ethenylcyclohexa-1,3-diene (PubChem CID 22495076) has the molecular formula C8H8Br2 and a molecular weight of 263.96 g/mol. Its IUPAC name is 5,6-dibromo-5-ethenylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5,6-dibromo-5-ethenylcyclohexa-1,3-diene
PubChem CID22495076
Molecular FormulaC8H8Br2
Molecular Weight263.96 g/mol
Exact Mass261.90
IUPAC Name5,6-dibromo-5-ethenylcyclohexa-1,3-diene
SMILESC=CC1(Br)C=CC=CC1Br
InChIInChI=1S/C8H8Br2/c1-2-8(10)6-4-3-5-7(8)9/h2-7H,1H2
InChIKeyJKEDEYQOTZWODW-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.96
LogP ≤ 53.20
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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Related Compounds

2-Bromo-2-fluorostyrene
CID 139947640
(5E,6E)-5,6-bis(bromomethylidene)cyclohexa-1,3-diene
CID 10587523
4-Brom-p-xylol
CID 21285705
1,3-Dibromo[3h]benzene
CID 21614366
1-Bromstyrol
CID 21877402
o-Dibromoxylene
CID 23052226
1-Bromophenylethane
CID 53401395
Xylenylbromid
CID 66699639
p-Dibromoxylene
CID 66875587
m-Dibromoxylene
CID 66887932
m-Dibromotoluene
CID 66964718
5,6-Dibromocyclohexa-1,3-diene
CID 76541309

Frequently Asked Questions

What is the IUPAC name of 5,6-dibromo-5-ethenylcyclohexa-1,3-diene?
The IUPAC name of 5,6-dibromo-5-ethenylcyclohexa-1,3-diene (CID 22495076) is 5,6-dibromo-5-ethenylcyclohexa-1,3-diene.
What is the SMILES notation for 5,6-dibromo-5-ethenylcyclohexa-1,3-diene?
The canonical SMILES for 5,6-dibromo-5-ethenylcyclohexa-1,3-diene is C=CC1(Br)C=CC=CC1Br.
What is the InChIKey of 5,6-dibromo-5-ethenylcyclohexa-1,3-diene?
The InChIKey is JKEDEYQOTZWODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2/c1-2-8(10)6-4-3-5-7(8)9/h2-7H,1H2.
What are the key properties of 5,6-dibromo-5-ethenylcyclohexa-1,3-diene?
5,6-dibromo-5-ethenylcyclohexa-1,3-diene has a molecular weight of 263.96 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromo-5-ethenylcyclohexa-1,3-diene is sourced from PubChem (CID 22495076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).