About [(1S)-1-[(1R)-1-but-3-ynyl-2-trimethylsilyloxycyclopent-2-en-1-yl]-4-trimethylsilylbut-3-ynoxy]-trimethylsilane
[(1S)-1-[(1R)-1-but-3-ynyl-2-trimethylsilyloxycyclopent-2-en-1-yl]-4-trimethylsilylbut-3-ynoxy]-trimethylsilane (PubChem CID 101348496) has the molecular formula C22H40O2Si3
and a molecular weight of 420.82 g/mol. Its IUPAC name is [(1S)-1-[(1R)-1-but-3-ynyl-2-trimethylsilyloxycyclopent-2-en-1-yl]-4-trimethylsilylbut-3-ynoxy]-trimethylsilane.
Molecular Properties
| Compound Name | [(1S)-1-[(1R)-1-but-3-ynyl-2-trimethylsilyloxycyclopent-2-en-1-yl]-4-trimethylsilylbut-3-ynoxy]-trimethylsilane |
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| PubChem CID | 101348496 |
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| Molecular Formula | C22H40O2Si3 |
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| Molecular Weight | 420.82 g/mol |
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| Exact Mass | 420.23 |
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| IUPAC Name | [(1S)-1-[(1R)-1-but-3-ynyl-2-trimethylsilyloxycyclopent-2-en-1-yl]-4-trimethylsilylbut-3-ynoxy]-trimethylsilane |
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| SMILES | C#CCC[C@@]1([C@H](CC#C[Si](C)(C)C)O[Si](C)(C)C)CCC=C1O[Si](C)(C)C |
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| InChI | InChI=1S/C22H40O2Si3/c1-11-12-17-22(18-13-15-20(22)23-26(5,6)7)21(24-27(8,9)10)16-14-19-25(2,3)4/h1,15,21H,12-13,16-18H2,2-10H3/t21-,22+/m0/s1 |
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| InChIKey | ODKIXVQWFVCULU-FCHUYYIVSA-N |
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| XLogP | 6.41 |
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| TPSA | 18.46 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 8 |
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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 | 420.82 |
| LogP ≤ 5 | 6.41 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [(1S)-1-[(1R)-1-but-3-ynyl-2-trimethylsilyloxycyclopent-2-en-1-yl]-4-trimethylsilylbut-3-ynoxy]-trimethylsilane?
The IUPAC name of [(1S)-1-[(1R)-1-but-3-ynyl-2-trimethylsilyloxycyclopent-2-en-1-yl]-4-trimethylsilylbut-3-ynoxy]-trimethylsilane (CID 101348496) is [(1S)-1-[(1R)-1-but-3-ynyl-2-trimethylsilyloxycyclopent-2-en-1-yl]-4-trimethylsilylbut-3-ynoxy]-trimethylsilane.
What is the SMILES notation for [(1S)-1-[(1R)-1-but-3-ynyl-2-trimethylsilyloxycyclopent-2-en-1-yl]-4-trimethylsilylbut-3-ynoxy]-trimethylsilane?
The canonical SMILES for [(1S)-1-[(1R)-1-but-3-ynyl-2-trimethylsilyloxycyclopent-2-en-1-yl]-4-trimethylsilylbut-3-ynoxy]-trimethylsilane is C#CCC[C@@]1([C@H](CC#C[Si](C)(C)C)O[Si](C)(C)C)CCC=C1O[Si](C)(C)C.
What is the InChIKey of [(1S)-1-[(1R)-1-but-3-ynyl-2-trimethylsilyloxycyclopent-2-en-1-yl]-4-trimethylsilylbut-3-ynoxy]-trimethylsilane?
The InChIKey is ODKIXVQWFVCULU-FCHUYYIVSA-N. The full InChI is InChI=1S/C22H40O2Si3/c1-11-12-17-22(18-13-15-20(22)23-26(5,6)7)21(24-27(8,9)10)16-14-19-25(2,3)4/h1,15,21H,12-13,16-18H2,2-10H3/t21-,22+/m0/s1.
What are the key properties of [(1S)-1-[(1R)-1-but-3-ynyl-2-trimethylsilyloxycyclopent-2-en-1-yl]-4-trimethylsilylbut-3-ynoxy]-trimethylsilane?
[(1S)-1-[(1R)-1-but-3-ynyl-2-trimethylsilyloxycyclopent-2-en-1-yl]-4-trimethylsilylbut-3-ynoxy]-trimethylsilane has a molecular weight of 420.82 g/mol, XLogP of 6.41, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[(1R)-1-but-3-ynyl-2-trimethylsilyloxycyclopent-2-en-1-yl]-4-trimethylsilylbut-3-ynoxy]-trimethylsilane is sourced from PubChem (CID 101348496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).