About bis(1-bicyclo[2.2.1]heptanyl)-(oxan-2-yl)silane
bis(1-bicyclo[2.2.1]heptanyl)-(oxan-2-yl)silane (PubChem CID 173417479) has the molecular formula C19H32OSi
and a molecular weight of 304.55 g/mol. Its IUPAC name is bis(1-bicyclo[2.2.1]heptanyl)-(oxan-2-yl)silane.
Molecular Properties
| Compound Name | bis(1-bicyclo[2.2.1]heptanyl)-(oxan-2-yl)silane |
| PubChem CID | 173417479 |
| Molecular Formula | C19H32OSi |
| Molecular Weight | 304.55 g/mol |
| Exact Mass | 304.22 |
| IUPAC Name | bis(1-bicyclo[2.2.1]heptanyl)-(oxan-2-yl)silane |
| SMILES | C1CCC([SiH](C23CCC(CC2)C3)C23CCC(CC2)C3)OC1 |
| InChI | InChI=1S/C19H32OSi/c1-2-12-20-17(3-1)21(18-8-4-15(13-18)5-9-18)19-10-6-16(14-19)7-11-19/h15-17,21H,1-14H2 |
| InChIKey | FWZJIGHJTJXYIB-UHFFFAOYSA-N |
| XLogP | 4.99 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 304.55 |
| LogP ≤ 5 | 4.99 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of bis(1-bicyclo[2.2.1]heptanyl)-(oxan-2-yl)silane?
The IUPAC name of bis(1-bicyclo[2.2.1]heptanyl)-(oxan-2-yl)silane (CID 173417479) is bis(1-bicyclo[2.2.1]heptanyl)-(oxan-2-yl)silane.
What is the SMILES notation for bis(1-bicyclo[2.2.1]heptanyl)-(oxan-2-yl)silane?
The canonical SMILES for bis(1-bicyclo[2.2.1]heptanyl)-(oxan-2-yl)silane is C1CCC([SiH](C23CCC(CC2)C3)C23CCC(CC2)C3)OC1.
What is the InChIKey of bis(1-bicyclo[2.2.1]heptanyl)-(oxan-2-yl)silane?
The InChIKey is FWZJIGHJTJXYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32OSi/c1-2-12-20-17(3-1)21(18-8-4-15(13-18)5-9-18)19-10-6-16(14-19)7-11-19/h15-17,21H,1-14H2.
What are the key properties of bis(1-bicyclo[2.2.1]heptanyl)-(oxan-2-yl)silane?
bis(1-bicyclo[2.2.1]heptanyl)-(oxan-2-yl)silane has a molecular weight of 304.55 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-bicyclo[2.2.1]heptanyl)-(oxan-2-yl)silane is sourced from PubChem (CID 173417479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).