3,4-dibromotricyclo[5.2.1.02,6]deca-3,8-diene

C10H10Br2 — CID 20528656

IUPAC3,4-dibromotricyclo[5.2.1.02,6]deca-3,8-diene
SMILESBrC1=C(Br)C2C3C=CC(C3)C2C1
InChIInChI=1S/C10H10Br2/c11-8-4-7-5-1-2-6(3-5)9(7)10(8)12/h1-2,5-7,9H,3-4H2
InChIKeyOXOOIJMOBCADHY-UHFFFAOYSA-N
MW290.00 g/mol
LogP3.83
Rot. Bonds

About 3,4-dibromotricyclo[5.2.1.02,6]deca-3,8-diene

3,4-dibromotricyclo[5.2.1.02,6]deca-3,8-diene (PubChem CID 20528656) has the molecular formula C10H10Br2 and a molecular weight of 290.00 g/mol. Its IUPAC name is 3,4-dibromotricyclo[5.2.1.02,6]deca-3,8-diene.

Molecular Properties

Compound Name3,4-dibromotricyclo[5.2.1.02,6]deca-3,8-diene
PubChem CID20528656
Molecular FormulaC10H10Br2
Molecular Weight290.00 g/mol
Exact Mass287.91
IUPAC Name3,4-dibromotricyclo[5.2.1.02,6]deca-3,8-diene
SMILESBrC1=C(Br)C2C3C=CC(C3)C2C1
InChIInChI=1S/C10H10Br2/c11-8-4-7-5-1-2-6(3-5)9(7)10(8)12/h1-2,5-7,9H,3-4H2
InChIKeyOXOOIJMOBCADHY-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.00
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 3,4-dibromotricyclo[5.2.1.02,6]deca-3,8-diene?
The IUPAC name of 3,4-dibromotricyclo[5.2.1.02,6]deca-3,8-diene (CID 20528656) is 3,4-dibromotricyclo[5.2.1.02,6]deca-3,8-diene.
What is the SMILES notation for 3,4-dibromotricyclo[5.2.1.02,6]deca-3,8-diene?
The canonical SMILES for 3,4-dibromotricyclo[5.2.1.02,6]deca-3,8-diene is BrC1=C(Br)C2C3C=CC(C3)C2C1.
What is the InChIKey of 3,4-dibromotricyclo[5.2.1.02,6]deca-3,8-diene?
The InChIKey is OXOOIJMOBCADHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2/c11-8-4-7-5-1-2-6(3-5)9(7)10(8)12/h1-2,5-7,9H,3-4H2.
What are the key properties of 3,4-dibromotricyclo[5.2.1.02,6]deca-3,8-diene?
3,4-dibromotricyclo[5.2.1.02,6]deca-3,8-diene has a molecular weight of 290.00 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromotricyclo[5.2.1.02,6]deca-3,8-diene is sourced from PubChem (CID 20528656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).