About 1-[[tert-butyl-[tert-butyl-[(1-hydroxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]cyclopent-2-en-1-ol
1-[[tert-butyl-[tert-butyl-[(1-hydroxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]cyclopent-2-en-1-ol (PubChem CID 140983527) has the molecular formula C22H42O3Si2
and a molecular weight of 410.75 g/mol. Its IUPAC name is 1-[[tert-butyl-[tert-butyl-[(1-hydroxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]cyclopent-2-en-1-ol.
Molecular Properties
| Compound Name | 1-[[tert-butyl-[tert-butyl-[(1-hydroxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]cyclopent-2-en-1-ol |
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| PubChem CID | 140983527 |
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| Molecular Formula | C22H42O3Si2 |
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| Molecular Weight | 410.75 g/mol |
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| Exact Mass | 410.27 |
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| IUPAC Name | 1-[[tert-butyl-[tert-butyl-[(1-hydroxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]cyclopent-2-en-1-ol |
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| SMILES | CC(C)(C)[Si](C)(CC1(O)C=CCC1)O[Si](C)(CC1(O)C=CCC1)C(C)(C)C |
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| InChI | InChI=1S/C22H42O3Si2/c1-19(2,3)26(7,17-21(23)13-9-10-14-21)25-27(8,20(4,5)6)18-22(24)15-11-12-16-22/h9,11,13,15,23-24H,10,12,14,16-18H2,1-8H3 |
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| InChIKey | IJGXJNRJLGDTOJ-UHFFFAOYSA-N |
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| XLogP | 5.92 |
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| TPSA | 49.69 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 27 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 410.75 |
| LogP ≤ 5 | 5.92 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'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-[[tert-butyl-[tert-butyl-[(1-hydroxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]cyclopent-2-en-1-ol?
The IUPAC name of 1-[[tert-butyl-[tert-butyl-[(1-hydroxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]cyclopent-2-en-1-ol (CID 140983527) is 1-[[tert-butyl-[tert-butyl-[(1-hydroxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]cyclopent-2-en-1-ol.
What is the SMILES notation for 1-[[tert-butyl-[tert-butyl-[(1-hydroxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]cyclopent-2-en-1-ol?
The canonical SMILES for 1-[[tert-butyl-[tert-butyl-[(1-hydroxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]cyclopent-2-en-1-ol is CC(C)(C)[Si](C)(CC1(O)C=CCC1)O[Si](C)(CC1(O)C=CCC1)C(C)(C)C.
What is the InChIKey of 1-[[tert-butyl-[tert-butyl-[(1-hydroxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]cyclopent-2-en-1-ol?
The InChIKey is IJGXJNRJLGDTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O3Si2/c1-19(2,3)26(7,17-21(23)13-9-10-14-21)25-27(8,20(4,5)6)18-22(24)15-11-12-16-22/h9,11,13,15,23-24H,10,12,14,16-18H2,1-8H3.
What are the key properties of 1-[[tert-butyl-[tert-butyl-[(1-hydroxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]cyclopent-2-en-1-ol?
1-[[tert-butyl-[tert-butyl-[(1-hydroxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]cyclopent-2-en-1-ol has a molecular weight of 410.75 g/mol, XLogP of 5.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[tert-butyl-[tert-butyl-[(1-hydroxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]cyclopent-2-en-1-ol is sourced from PubChem (CID 140983527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).