2,5-dibromo-5,6-dimethylcyclohexa-1,3-diene

C8H10Br2 — CID 66875587

IUPAC2,5-dibromo-5,6-dimethylcyclohexa-1,3-diene
SMILESCC1C=C(Br)C=CC1(C)Br
InChIInChI=1S/C8H10Br2/c1-6-5-7(9)3-4-8(6,2)10/h3-6H,1-2H3
InChIKeyBEBQYPFPMBNGNG-UHFFFAOYSA-N
MW265.98 g/mol
LogP3.62
Rot. Bonds

About 2,5-dibromo-5,6-dimethylcyclohexa-1,3-diene

2,5-dibromo-5,6-dimethylcyclohexa-1,3-diene (PubChem CID 66875587) has the molecular formula C8H10Br2 and a molecular weight of 265.98 g/mol. Its IUPAC name is 2,5-dibromo-5,6-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2,5-dibromo-5,6-dimethylcyclohexa-1,3-diene
PubChem CID66875587
Molecular FormulaC8H10Br2
Molecular Weight265.98 g/mol
Exact Mass263.91
IUPAC Name2,5-dibromo-5,6-dimethylcyclohexa-1,3-diene
SMILESCC1C=C(Br)C=CC1(C)Br
InChIInChI=1S/C8H10Br2/c1-6-5-7(9)3-4-8(6,2)10/h3-6H,1-2H3
InChIKeyBEBQYPFPMBNGNG-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
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 2,5-dibromo-5,6-dimethylcyclohexa-1,3-diene?
The IUPAC name of 2,5-dibromo-5,6-dimethylcyclohexa-1,3-diene (CID 66875587) is 2,5-dibromo-5,6-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 2,5-dibromo-5,6-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 2,5-dibromo-5,6-dimethylcyclohexa-1,3-diene is CC1C=C(Br)C=CC1(C)Br.
What is the InChIKey of 2,5-dibromo-5,6-dimethylcyclohexa-1,3-diene?
The InChIKey is BEBQYPFPMBNGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2/c1-6-5-7(9)3-4-8(6,2)10/h3-6H,1-2H3.
What are the key properties of 2,5-dibromo-5,6-dimethylcyclohexa-1,3-diene?
2,5-dibromo-5,6-dimethylcyclohexa-1,3-diene has a molecular weight of 265.98 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-5,6-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 66875587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).