About 1-(4-pent-4-enylcyclohexyl)silinan-4-ol
1-(4-pent-4-enylcyclohexyl)silinan-4-ol (PubChem CID 123398056) has the molecular formula C16H30OSi
and a molecular weight of 266.50 g/mol. Its IUPAC name is 1-(4-pent-4-enylcyclohexyl)silinan-4-ol.
Molecular Properties
| Compound Name | 1-(4-pent-4-enylcyclohexyl)silinan-4-ol |
| PubChem CID | 123398056 |
| Molecular Formula | C16H30OSi |
| Molecular Weight | 266.50 g/mol |
| Exact Mass | 266.21 |
| IUPAC Name | 1-(4-pent-4-enylcyclohexyl)silinan-4-ol |
| SMILES | C=CCCCC1CCC([SiH]2CCC(O)CC2)CC1 |
| InChI | InChI=1S/C16H30OSi/c1-2-3-4-5-14-6-8-16(9-7-14)18-12-10-15(17)11-13-18/h2,14-18H,1,3-13H2 |
| InChIKey | BAEGXBRERLVBKD-UHFFFAOYSA-N |
| XLogP | 4.28 |
| TPSA | 20.23 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 266.50 |
| LogP ≤ 5 | 4.28 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-(4-pent-4-enylcyclohexyl)silinan-4-ol?
The IUPAC name of 1-(4-pent-4-enylcyclohexyl)silinan-4-ol (CID 123398056) is 1-(4-pent-4-enylcyclohexyl)silinan-4-ol.
What is the SMILES notation for 1-(4-pent-4-enylcyclohexyl)silinan-4-ol?
The canonical SMILES for 1-(4-pent-4-enylcyclohexyl)silinan-4-ol is C=CCCCC1CCC([SiH]2CCC(O)CC2)CC1.
What is the InChIKey of 1-(4-pent-4-enylcyclohexyl)silinan-4-ol?
The InChIKey is BAEGXBRERLVBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30OSi/c1-2-3-4-5-14-6-8-16(9-7-14)18-12-10-15(17)11-13-18/h2,14-18H,1,3-13H2.
What are the key properties of 1-(4-pent-4-enylcyclohexyl)silinan-4-ol?
1-(4-pent-4-enylcyclohexyl)silinan-4-ol has a molecular weight of 266.50 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pent-4-enylcyclohexyl)silinan-4-ol is sourced from PubChem (CID 123398056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).