5,6-dibromocyclohexa-1,3-diene

C6H6Br2 — CID 76541309

IUPAC5,6-dibromocyclohexa-1,3-diene
SMILESBrC1C=CC=CC1Br
InChIInChI=1S/C6H6Br2/c7-5-3-1-2-4-6(5)8/h1-6H
InChIKeyNISSSKJMSPZWNL-UHFFFAOYSA-N
MW237.92 g/mol
LogP2.64
Rot. Bonds

About 5,6-dibromocyclohexa-1,3-diene

5,6-dibromocyclohexa-1,3-diene (PubChem CID 76541309) has the molecular formula C6H6Br2 and a molecular weight of 237.92 g/mol. Its IUPAC name is 5,6-dibromocyclohexa-1,3-diene.

Molecular Properties

Compound Name5,6-dibromocyclohexa-1,3-diene
PubChem CID76541309
Molecular FormulaC6H6Br2
Molecular Weight237.92 g/mol
Exact Mass235.88
IUPAC Name5,6-dibromocyclohexa-1,3-diene
SMILESBrC1C=CC=CC1Br
InChIInChI=1S/C6H6Br2/c7-5-3-1-2-4-6(5)8/h1-6H
InChIKeyNISSSKJMSPZWNL-UHFFFAOYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.92
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,3-Cyclohexadiene, 2-bromo
CID 527551
1,3-Dibromo[3h]benzene
CID 21614366
1,2-Di bromostyrene
CID 22495076
3,6-Dibromo-1,4-cyclohexadiene
CID 69015248
5-Bromo-2,6-difluorocyclohexa-1,3-diene
CID 17859847
5-Bromo-1-fluorocyclohexa-1,3-diene
CID 18696359
1-Bromo-2-fluorocyclohexa-1,3-diene
CID 19428237
5,6-Dibromo-5-fluorocyclohexa-1,3-diene
CID 66666104
1-Bromo-3-fluorobenzyl bromide
CID 67334594
5,6-Dibromo-2,5-difluorocyclohexa-1,3-diene
CID 67591554
5,6-Dibromo-5,6-difluorocyclohexa-1,3-diene
CID 68794628
1-Bromo-6-fluorocyclohexa-1,3-diene
CID 89109579

Frequently Asked Questions

What is the IUPAC name of 5,6-dibromocyclohexa-1,3-diene?
The IUPAC name of 5,6-dibromocyclohexa-1,3-diene (CID 76541309) is 5,6-dibromocyclohexa-1,3-diene.
What is the SMILES notation for 5,6-dibromocyclohexa-1,3-diene?
The canonical SMILES for 5,6-dibromocyclohexa-1,3-diene is BrC1C=CC=CC1Br.
What is the InChIKey of 5,6-dibromocyclohexa-1,3-diene?
The InChIKey is NISSSKJMSPZWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Br2/c7-5-3-1-2-4-6(5)8/h1-6H.
What are the key properties of 5,6-dibromocyclohexa-1,3-diene?
5,6-dibromocyclohexa-1,3-diene has a molecular weight of 237.92 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromocyclohexa-1,3-diene is sourced from PubChem (CID 76541309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).