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

C8H10Br2 — CID 23052226

IUPAC5,6-dibromo-5,6-dimethylcyclohexa-1,3-diene
SMILESCC1(Br)C=CC=CC1(C)Br
InChIInChI=1S/C8H10Br2/c1-7(9)5-3-4-6-8(7,2)10/h3-6H,1-2H3
InChIKeyRCGIPGKJDFKYKW-UHFFFAOYSA-N
MW265.98 g/mol
LogP3.42
Rot. Bonds

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

5,6-dibromo-5,6-dimethylcyclohexa-1,3-diene (PubChem CID 23052226) has the molecular formula C8H10Br2 and a molecular weight of 265.98 g/mol. Its IUPAC name is 5,6-dibromo-5,6-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5,6-dibromo-5,6-dimethylcyclohexa-1,3-diene
PubChem CID23052226
Molecular FormulaC8H10Br2
Molecular Weight265.98 g/mol
Exact Mass263.91
IUPAC Name5,6-dibromo-5,6-dimethylcyclohexa-1,3-diene
SMILESCC1(Br)C=CC=CC1(C)Br
InChIInChI=1S/C8H10Br2/c1-7(9)5-3-4-6-8(7,2)10/h3-6H,1-2H3
InChIKeyRCGIPGKJDFKYKW-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.98
LogP ≤ 53.42
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 5,6-dibromo-5,6-dimethylcyclohexa-1,3-diene?
The IUPAC name of 5,6-dibromo-5,6-dimethylcyclohexa-1,3-diene (CID 23052226) is 5,6-dibromo-5,6-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 5,6-dibromo-5,6-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 5,6-dibromo-5,6-dimethylcyclohexa-1,3-diene is CC1(Br)C=CC=CC1(C)Br.
What is the InChIKey of 5,6-dibromo-5,6-dimethylcyclohexa-1,3-diene?
The InChIKey is RCGIPGKJDFKYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2/c1-7(9)5-3-4-6-8(7,2)10/h3-6H,1-2H3.
What are the key properties of 5,6-dibromo-5,6-dimethylcyclohexa-1,3-diene?
5,6-dibromo-5,6-dimethylcyclohexa-1,3-diene has a molecular weight of 265.98 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromo-5,6-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 23052226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).