4,5-dibromo-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

C12H10Br2O — CID 15325925

IUPAC4,5-dibromo-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
SMILESCC12C=CC(C)(O1)c1cc(Br)c(Br)cc12
InChIInChI=1S/C12H10Br2O/c1-11-3-4-12(2,15-11)8-6-10(14)9(13)5-7(8)11/h3-6H,1-2H3
InChIKeyQYLCBNLYBOIVTQ-UHFFFAOYSA-N
MW330.02 g/mol
LogP4.24
Rot. Bonds

About 4,5-dibromo-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

4,5-dibromo-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene (PubChem CID 15325925) has the molecular formula C12H10Br2O and a molecular weight of 330.02 g/mol. Its IUPAC name is 4,5-dibromo-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene.

Molecular Properties

Compound Name4,5-dibromo-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
PubChem CID15325925
Molecular FormulaC12H10Br2O
Molecular Weight330.02 g/mol
Exact Mass327.91
IUPAC Name4,5-dibromo-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
SMILESCC12C=CC(C)(O1)c1cc(Br)c(Br)cc12
InChIInChI=1S/C12H10Br2O/c1-11-3-4-12(2,15-11)8-6-10(14)9(13)5-7(8)11/h3-6H,1-2H3
InChIKeyQYLCBNLYBOIVTQ-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.02
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The IUPAC name of 4,5-dibromo-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene (CID 15325925) is 4,5-dibromo-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene.
What is the SMILES notation for 4,5-dibromo-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The canonical SMILES for 4,5-dibromo-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene is CC12C=CC(C)(O1)c1cc(Br)c(Br)cc12.
What is the InChIKey of 4,5-dibromo-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The InChIKey is QYLCBNLYBOIVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2O/c1-11-3-4-12(2,15-11)8-6-10(14)9(13)5-7(8)11/h3-6H,1-2H3.
What are the key properties of 4,5-dibromo-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
4,5-dibromo-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene has a molecular weight of 330.02 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene is sourced from PubChem (CID 15325925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).