1,2,3,3-tetrabromo-4-ethenylcyclohexene

C8H8Br4 — CID 23213609

IUPAC1,2,3,3-tetrabromo-4-ethenylcyclohexene
SMILESC=CC1CCC(Br)=C(Br)C1(Br)Br
InChIInChI=1S/C8H8Br4/c1-2-5-3-4-6(9)7(10)8(5,11)12/h2,5H,1,3-4H2
InChIKeyCOWJCPUTNGANLI-UHFFFAOYSA-N
MW423.77 g/mol
LogP5.07
Rot. Bonds1

About 1,2,3,3-tetrabromo-4-ethenylcyclohexene

1,2,3,3-tetrabromo-4-ethenylcyclohexene (PubChem CID 23213609) has the molecular formula C8H8Br4 and a molecular weight of 423.77 g/mol. Its IUPAC name is 1,2,3,3-tetrabromo-4-ethenylcyclohexene.

Molecular Properties

Compound Name1,2,3,3-tetrabromo-4-ethenylcyclohexene
PubChem CID23213609
Molecular FormulaC8H8Br4
Molecular Weight423.77 g/mol
Exact Mass419.74
IUPAC Name1,2,3,3-tetrabromo-4-ethenylcyclohexene
SMILESC=CC1CCC(Br)=C(Br)C1(Br)Br
InChIInChI=1S/C8H8Br4/c1-2-5-3-4-6(9)7(10)8(5,11)12/h2,5H,1,3-4H2
InChIKeyCOWJCPUTNGANLI-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.77
LogP ≤ 55.07
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 1,2,3,3-tetrabromo-4-ethenylcyclohexene?
The IUPAC name of 1,2,3,3-tetrabromo-4-ethenylcyclohexene (CID 23213609) is 1,2,3,3-tetrabromo-4-ethenylcyclohexene.
What is the SMILES notation for 1,2,3,3-tetrabromo-4-ethenylcyclohexene?
The canonical SMILES for 1,2,3,3-tetrabromo-4-ethenylcyclohexene is C=CC1CCC(Br)=C(Br)C1(Br)Br.
What is the InChIKey of 1,2,3,3-tetrabromo-4-ethenylcyclohexene?
The InChIKey is COWJCPUTNGANLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br4/c1-2-5-3-4-6(9)7(10)8(5,11)12/h2,5H,1,3-4H2.
What are the key properties of 1,2,3,3-tetrabromo-4-ethenylcyclohexene?
1,2,3,3-tetrabromo-4-ethenylcyclohexene has a molecular weight of 423.77 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3-tetrabromo-4-ethenylcyclohexene is sourced from PubChem (CID 23213609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).