About tert-butyl-[(2R,3R)-3-[3-(methoxymethoxy)propyl]-6-methyl-2-(2-methylpropyl)hept-4-enoxy]-dimethylsilane
tert-butyl-[(2R,3R)-3-[3-(methoxymethoxy)propyl]-6-methyl-2-(2-methylpropyl)hept-4-enoxy]-dimethylsilane (PubChem CID 91014736) has the molecular formula C23H48O3Si
and a molecular weight of 400.72 g/mol. Its IUPAC name is tert-butyl-[(2R,3R)-3-[3-(methoxymethoxy)propyl]-6-methyl-2-(2-methylpropyl)hept-4-enoxy]-dimethylsilane.
Molecular Properties
| Compound Name | tert-butyl-[(2R,3R)-3-[3-(methoxymethoxy)propyl]-6-methyl-2-(2-methylpropyl)hept-4-enoxy]-dimethylsilane |
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| PubChem CID | 91014736 |
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| Molecular Formula | C23H48O3Si |
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| Molecular Weight | 400.72 g/mol |
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| Exact Mass | 400.34 |
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| IUPAC Name | tert-butyl-[(2R,3R)-3-[3-(methoxymethoxy)propyl]-6-methyl-2-(2-methylpropyl)hept-4-enoxy]-dimethylsilane |
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| SMILES | COCOCCCC(C=CC(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)CC(C)C |
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| InChI | InChI=1S/C23H48O3Si/c1-19(2)13-14-21(12-11-15-25-18-24-8)22(16-20(3)4)17-26-27(9,10)23(5,6)7/h13-14,19-22H,11-12,15-18H2,1-10H3/t21?,22-/m0/s1 |
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| InChIKey | AUNABUNEFZEQFV-KEKNWZKVSA-N |
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| XLogP | 6.90 |
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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 | 14 |
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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 | 400.72 |
| LogP ≤ 5 | 6.90 |
| 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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of tert-butyl-[(2R,3R)-3-[3-(methoxymethoxy)propyl]-6-methyl-2-(2-methylpropyl)hept-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3R)-3-[3-(methoxymethoxy)propyl]-6-methyl-2-(2-methylpropyl)hept-4-enoxy]-dimethylsilane (CID 91014736) is tert-butyl-[(2R,3R)-3-[3-(methoxymethoxy)propyl]-6-methyl-2-(2-methylpropyl)hept-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3R)-3-[3-(methoxymethoxy)propyl]-6-methyl-2-(2-methylpropyl)hept-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3R)-3-[3-(methoxymethoxy)propyl]-6-methyl-2-(2-methylpropyl)hept-4-enoxy]-dimethylsilane is COCOCCCC(C=CC(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)CC(C)C.
What is the InChIKey of tert-butyl-[(2R,3R)-3-[3-(methoxymethoxy)propyl]-6-methyl-2-(2-methylpropyl)hept-4-enoxy]-dimethylsilane?
The InChIKey is AUNABUNEFZEQFV-KEKNWZKVSA-N. The full InChI is InChI=1S/C23H48O3Si/c1-19(2)13-14-21(12-11-15-25-18-24-8)22(16-20(3)4)17-26-27(9,10)23(5,6)7/h13-14,19-22H,11-12,15-18H2,1-10H3/t21?,22-/m0/s1.
What are the key properties of tert-butyl-[(2R,3R)-3-[3-(methoxymethoxy)propyl]-6-methyl-2-(2-methylpropyl)hept-4-enoxy]-dimethylsilane?
tert-butyl-[(2R,3R)-3-[3-(methoxymethoxy)propyl]-6-methyl-2-(2-methylpropyl)hept-4-enoxy]-dimethylsilane has a molecular weight of 400.72 g/mol, XLogP of 6.90, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3R)-3-[3-(methoxymethoxy)propyl]-6-methyl-2-(2-methylpropyl)hept-4-enoxy]-dimethylsilane is sourced from PubChem (CID 91014736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).