About 2-bicyclo[2.2.1]heptanylmethylphosphane
2-bicyclo[2.2.1]heptanylmethylphosphane (PubChem CID 58351251) has the molecular formula C8H15P
and a molecular weight of 142.18 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanylmethylphosphane.
Molecular Properties
| Compound Name | 2-bicyclo[2.2.1]heptanylmethylphosphane |
| PubChem CID | 58351251 |
| Molecular Formula | C8H15P |
| Molecular Weight | 142.18 g/mol |
| Exact Mass | 142.09 |
| IUPAC Name | 2-bicyclo[2.2.1]heptanylmethylphosphane |
| SMILES | PCC1CC2CCC1C2 |
| InChI | InChI=1S/C8H15P/c9-5-8-4-6-1-2-7(8)3-6/h6-8H,1-5,9H2 |
| InChIKey | JBKQKHFPTSIDLN-UHFFFAOYSA-N |
| XLogP | 2.30 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 1 |
| Heavy Atoms | 9 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 142.18 |
| LogP ≤ 5 | 2.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-bicyclo[2.2.1]heptanylmethylphosphane?
The IUPAC name of 2-bicyclo[2.2.1]heptanylmethylphosphane (CID 58351251) is 2-bicyclo[2.2.1]heptanylmethylphosphane.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanylmethylphosphane?
The canonical SMILES for 2-bicyclo[2.2.1]heptanylmethylphosphane is PCC1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanylmethylphosphane?
The InChIKey is JBKQKHFPTSIDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15P/c9-5-8-4-6-1-2-7(8)3-6/h6-8H,1-5,9H2.
What are the key properties of 2-bicyclo[2.2.1]heptanylmethylphosphane?
2-bicyclo[2.2.1]heptanylmethylphosphane has a molecular weight of 142.18 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanylmethylphosphane is sourced from PubChem (CID 58351251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).