3,6-dibromo-1,3,4,6-tetramethylcyclohexa-1,4-diene

C10H14Br2 — CID 20507679

IUPAC3,6-dibromo-1,3,4,6-tetramethylcyclohexa-1,4-diene
SMILESCC1=CC(C)(Br)C(C)=CC1(C)Br
InChIInChI=1S/C10H14Br2/c1-7-5-10(4,12)8(2)6-9(7,3)11/h5-6H,1-4H3
InChIKeyQAMCRNSBSDHEPN-UHFFFAOYSA-N
MW294.03 g/mol
LogP4.20
Rot. Bonds

About 3,6-dibromo-1,3,4,6-tetramethylcyclohexa-1,4-diene

3,6-dibromo-1,3,4,6-tetramethylcyclohexa-1,4-diene (PubChem CID 20507679) has the molecular formula C10H14Br2 and a molecular weight of 294.03 g/mol. Its IUPAC name is 3,6-dibromo-1,3,4,6-tetramethylcyclohexa-1,4-diene.

Molecular Properties

Compound Name3,6-dibromo-1,3,4,6-tetramethylcyclohexa-1,4-diene
PubChem CID20507679
Molecular FormulaC10H14Br2
Molecular Weight294.03 g/mol
Exact Mass291.95
IUPAC Name3,6-dibromo-1,3,4,6-tetramethylcyclohexa-1,4-diene
SMILESCC1=CC(C)(Br)C(C)=CC1(C)Br
InChIInChI=1S/C10H14Br2/c1-7-5-10(4,12)8(2)6-9(7,3)11/h5-6H,1-4H3
InChIKeyQAMCRNSBSDHEPN-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.03
LogP ≤ 54.20
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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Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-1,3,4,6-tetramethylcyclohexa-1,4-diene?
The IUPAC name of 3,6-dibromo-1,3,4,6-tetramethylcyclohexa-1,4-diene (CID 20507679) is 3,6-dibromo-1,3,4,6-tetramethylcyclohexa-1,4-diene.
What is the SMILES notation for 3,6-dibromo-1,3,4,6-tetramethylcyclohexa-1,4-diene?
The canonical SMILES for 3,6-dibromo-1,3,4,6-tetramethylcyclohexa-1,4-diene is CC1=CC(C)(Br)C(C)=CC1(C)Br.
What is the InChIKey of 3,6-dibromo-1,3,4,6-tetramethylcyclohexa-1,4-diene?
The InChIKey is QAMCRNSBSDHEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2/c1-7-5-10(4,12)8(2)6-9(7,3)11/h5-6H,1-4H3.
What are the key properties of 3,6-dibromo-1,3,4,6-tetramethylcyclohexa-1,4-diene?
3,6-dibromo-1,3,4,6-tetramethylcyclohexa-1,4-diene has a molecular weight of 294.03 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-1,3,4,6-tetramethylcyclohexa-1,4-diene is sourced from PubChem (CID 20507679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).