About bicyclo[5.1.1]non-1(8)-ene
bicyclo[5.1.1]non-1(8)-ene (PubChem CID 13093079) has the molecular formula C9H14
and a molecular weight of 122.21 g/mol. Its IUPAC name is bicyclo[5.1.1]non-1(8)-ene.
Molecular Properties
| Compound Name | bicyclo[5.1.1]non-1(8)-ene |
|---|
| PubChem CID | 13093079 |
|---|
| Molecular Formula | C9H14 |
|---|
| Molecular Weight | 122.21 g/mol |
|---|
| Exact Mass | 122.11 |
|---|
| IUPAC Name | bicyclo[5.1.1]non-1(8)-ene |
|---|
| SMILES | C1=C2CCCCCC1C2 |
|---|
| InChI | InChI=1S/C9H14/c1-2-4-8-6-9(7-8)5-3-1/h6,8H,1-5,7H2 |
|---|
| InChIKey | SBDWIUFWAYAFBW-UHFFFAOYSA-N |
|---|
| XLogP | 2.90 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 9 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 122.21 |
| LogP ≤ 5 | 2.90 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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 bicyclo[5.1.1]non-1(8)-ene?
The IUPAC name of bicyclo[5.1.1]non-1(8)-ene (CID 13093079) is bicyclo[5.1.1]non-1(8)-ene.
What is the SMILES notation for bicyclo[5.1.1]non-1(8)-ene?
The canonical SMILES for bicyclo[5.1.1]non-1(8)-ene is C1=C2CCCCCC1C2.
What is the InChIKey of bicyclo[5.1.1]non-1(8)-ene?
The InChIKey is SBDWIUFWAYAFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-2-4-8-6-9(7-8)5-3-1/h6,8H,1-5,7H2.
What are the key properties of bicyclo[5.1.1]non-1(8)-ene?
bicyclo[5.1.1]non-1(8)-ene has a molecular weight of 122.21 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[5.1.1]non-1(8)-ene is sourced from PubChem (CID 13093079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).