About (2S,3S)-3-triethylsilyloxy-2-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxypent-4-en-1-ol
(2S,3S)-3-triethylsilyloxy-2-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxypent-4-en-1-ol (PubChem CID 11526114) has the molecular formula C28H54O3Si2
and a molecular weight of 494.91 g/mol. Its IUPAC name is (2S,3S)-3-triethylsilyloxy-2-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxypent-4-en-1-ol.
Molecular Properties
| Compound Name | (2S,3S)-3-triethylsilyloxy-2-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxypent-4-en-1-ol |
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| PubChem CID | 11526114 |
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| Molecular Formula | C28H54O3Si2 |
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| Molecular Weight | 494.91 g/mol |
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| Exact Mass | 494.36 |
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| IUPAC Name | (2S,3S)-3-triethylsilyloxy-2-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxypent-4-en-1-ol |
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| SMILES | C=C[C@H](O[Si](CC)(CC)CC)[C@H](CO)O[C@@H](C=C)CCCC#C[Si](C(C)C)(C(C)C)C(C)C |
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| InChI | InChI=1S/C28H54O3Si2/c1-12-26(20-18-17-19-21-33(23(6)7,24(8)9)25(10)11)30-28(22-29)27(13-2)31-32(14-3,15-4)16-5/h12-13,23-29H,1-2,14-18,20,22H2,3-11H3/t26-,27-,28-/m0/s1 |
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| InChIKey | BQRDFHBQFUAUOK-KCHLEUMXSA-N |
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| XLogP | 7.89 |
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| TPSA | 38.69 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 17 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 494.91 |
| LogP ≤ 5 | 7.89 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (2S,3S)-3-triethylsilyloxy-2-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxypent-4-en-1-ol?
The IUPAC name of (2S,3S)-3-triethylsilyloxy-2-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxypent-4-en-1-ol (CID 11526114) is (2S,3S)-3-triethylsilyloxy-2-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxypent-4-en-1-ol.
What is the SMILES notation for (2S,3S)-3-triethylsilyloxy-2-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxypent-4-en-1-ol?
The canonical SMILES for (2S,3S)-3-triethylsilyloxy-2-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxypent-4-en-1-ol is C=C[C@H](O[Si](CC)(CC)CC)[C@H](CO)O[C@@H](C=C)CCCC#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2S,3S)-3-triethylsilyloxy-2-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxypent-4-en-1-ol?
The InChIKey is BQRDFHBQFUAUOK-KCHLEUMXSA-N. The full InChI is InChI=1S/C28H54O3Si2/c1-12-26(20-18-17-19-21-33(23(6)7,24(8)9)25(10)11)30-28(22-29)27(13-2)31-32(14-3,15-4)16-5/h12-13,23-29H,1-2,14-18,20,22H2,3-11H3/t26-,27-,28-/m0/s1.
What are the key properties of (2S,3S)-3-triethylsilyloxy-2-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxypent-4-en-1-ol?
(2S,3S)-3-triethylsilyloxy-2-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxypent-4-en-1-ol has a molecular weight of 494.91 g/mol, XLogP of 7.89, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-triethylsilyloxy-2-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxypent-4-en-1-ol is sourced from PubChem (CID 11526114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).