1,10-dibromobicyclo[8.1.0]undecane-3,8-dione

C11H14Br2O2 — CID 15400037

IUPAC1,10-dibromobicyclo[8.1.0]undecane-3,8-dione
SMILESO=C1CCCCC(=O)CC2(Br)CC2(Br)C1
InChIInChI=1S/C11H14Br2O2/c12-10-5-8(14)3-1-2-4-9(15)6-11(10,13)7-10/h1-7H2
InChIKeyMASZIYJVGGOTQW-UHFFFAOYSA-N
MW338.04 g/mol
LogP3.15
Rot. Bonds

About 1,10-dibromobicyclo[8.1.0]undecane-3,8-dione

1,10-dibromobicyclo[8.1.0]undecane-3,8-dione (PubChem CID 15400037) has the molecular formula C11H14Br2O2 and a molecular weight of 338.04 g/mol. Its IUPAC name is 1,10-dibromobicyclo[8.1.0]undecane-3,8-dione.

Molecular Properties

Compound Name1,10-dibromobicyclo[8.1.0]undecane-3,8-dione
PubChem CID15400037
Molecular FormulaC11H14Br2O2
Molecular Weight338.04 g/mol
Exact Mass335.94
IUPAC Name1,10-dibromobicyclo[8.1.0]undecane-3,8-dione
SMILESO=C1CCCCC(=O)CC2(Br)CC2(Br)C1
InChIInChI=1S/C11H14Br2O2/c12-10-5-8(14)3-1-2-4-9(15)6-11(10,13)7-10/h1-7H2
InChIKeyMASZIYJVGGOTQW-UHFFFAOYSA-N
XLogP3.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.04
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,10-dibromobicyclo[8.1.0]undecane-3,8-dione?
The IUPAC name of 1,10-dibromobicyclo[8.1.0]undecane-3,8-dione (CID 15400037) is 1,10-dibromobicyclo[8.1.0]undecane-3,8-dione.
What is the SMILES notation for 1,10-dibromobicyclo[8.1.0]undecane-3,8-dione?
The canonical SMILES for 1,10-dibromobicyclo[8.1.0]undecane-3,8-dione is O=C1CCCCC(=O)CC2(Br)CC2(Br)C1.
What is the InChIKey of 1,10-dibromobicyclo[8.1.0]undecane-3,8-dione?
The InChIKey is MASZIYJVGGOTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2O2/c12-10-5-8(14)3-1-2-4-9(15)6-11(10,13)7-10/h1-7H2.
What are the key properties of 1,10-dibromobicyclo[8.1.0]undecane-3,8-dione?
1,10-dibromobicyclo[8.1.0]undecane-3,8-dione has a molecular weight of 338.04 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dibromobicyclo[8.1.0]undecane-3,8-dione is sourced from PubChem (CID 15400037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).