About tert-butyl-[(E)-5-[5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane
tert-butyl-[(E)-5-[5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane (PubChem CID 140810756) has the molecular formula C24H44O3Si
and a molecular weight of 408.70 g/mol. Its IUPAC name is tert-butyl-[(E)-5-[5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane.
Molecular Properties
| Compound Name | tert-butyl-[(E)-5-[5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane |
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| PubChem CID | 140810756 |
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| Molecular Formula | C24H44O3Si |
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| Molecular Weight | 408.70 g/mol |
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| Exact Mass | 408.31 |
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| IUPAC Name | tert-butyl-[(E)-5-[5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane |
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| SMILES | C=C/C=C(\C)CCC1CC(OC)OC1/C=C(\C)CCCO[Si](C)(C)C(C)(C)C |
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| InChI | InChI=1S/C24H44O3Si/c1-10-12-19(2)14-15-21-18-23(25-7)27-22(21)17-20(3)13-11-16-26-28(8,9)24(4,5)6/h10,12,17,21-23H,1,11,13-16,18H2,2-9H3/b19-12+,20-17+ |
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| InChIKey | CCPCOAVZGVYTQW-PVYFLZRGSA-N |
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| XLogP | 7.02 |
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| TPSA | 27.69 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 28 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 408.70 |
| LogP ≤ 5 | 7.02 |
| H-Bond Donors ≤ 5 | 0 |
| 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': 'polyene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of tert-butyl-[(E)-5-[5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-5-[5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane (CID 140810756) is tert-butyl-[(E)-5-[5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-5-[5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-5-[5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane is C=C/C=C(\C)CCC1CC(OC)OC1/C=C(\C)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-5-[5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane?
The InChIKey is CCPCOAVZGVYTQW-PVYFLZRGSA-N. The full InChI is InChI=1S/C24H44O3Si/c1-10-12-19(2)14-15-21-18-23(25-7)27-22(21)17-20(3)13-11-16-26-28(8,9)24(4,5)6/h10,12,17,21-23H,1,11,13-16,18H2,2-9H3/b19-12+,20-17+.
What are the key properties of tert-butyl-[(E)-5-[5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane?
tert-butyl-[(E)-5-[5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane has a molecular weight of 408.70 g/mol, XLogP of 7.02, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-5-[5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 140810756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).