About methyl (4R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-11-(2-methylbutan-2-yloxy)-4-tri(propan-2-yl)silyloxyundecanoate
methyl (4R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-11-(2-methylbutan-2-yloxy)-4-tri(propan-2-yl)silyloxyundecanoate (PubChem CID 10973969) has the molecular formula C32H68O5Si2
and a molecular weight of 589.06 g/mol. Its IUPAC name is methyl (4R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-11-(2-methylbutan-2-yloxy)-4-tri(propan-2-yl)silyloxyundecanoate.
Molecular Properties
| Compound Name | methyl (4R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-11-(2-methylbutan-2-yloxy)-4-tri(propan-2-yl)silyloxyundecanoate |
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| PubChem CID | 10973969 |
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| Molecular Formula | C32H68O5Si2 |
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| Molecular Weight | 589.06 g/mol |
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| Exact Mass | 588.46 |
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| IUPAC Name | methyl (4R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-11-(2-methylbutan-2-yloxy)-4-tri(propan-2-yl)silyloxyundecanoate |
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| SMILES | CCC(C)(C)OC[C@H](CCCCC[C@H](CCC(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C)O[Si](C)(C)C(C)(C)C |
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| InChI | InChI=1S/C32H68O5Si2/c1-16-32(11,12)35-24-29(36-38(14,15)31(8,9)10)21-19-17-18-20-28(22-23-30(33)34-13)37-39(25(2)3,26(4)5)27(6)7/h25-29H,16-24H2,1-15H3/t28-,29+/m1/s1 |
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| InChIKey | RPPFDIPTDCODPA-WDYNHAJCSA-N |
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| XLogP | 10.05 |
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| TPSA | 53.99 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 20 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 589.06 |
| LogP ≤ 5 | 10.05 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of methyl (4R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-11-(2-methylbutan-2-yloxy)-4-tri(propan-2-yl)silyloxyundecanoate?
The IUPAC name of methyl (4R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-11-(2-methylbutan-2-yloxy)-4-tri(propan-2-yl)silyloxyundecanoate (CID 10973969) is methyl (4R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-11-(2-methylbutan-2-yloxy)-4-tri(propan-2-yl)silyloxyundecanoate.
What is the SMILES notation for methyl (4R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-11-(2-methylbutan-2-yloxy)-4-tri(propan-2-yl)silyloxyundecanoate?
The canonical SMILES for methyl (4R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-11-(2-methylbutan-2-yloxy)-4-tri(propan-2-yl)silyloxyundecanoate is CCC(C)(C)OC[C@H](CCCCC[C@H](CCC(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (4R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-11-(2-methylbutan-2-yloxy)-4-tri(propan-2-yl)silyloxyundecanoate?
The InChIKey is RPPFDIPTDCODPA-WDYNHAJCSA-N. The full InChI is InChI=1S/C32H68O5Si2/c1-16-32(11,12)35-24-29(36-38(14,15)31(8,9)10)21-19-17-18-20-28(22-23-30(33)34-13)37-39(25(2)3,26(4)5)27(6)7/h25-29H,16-24H2,1-15H3/t28-,29+/m1/s1.
What are the key properties of methyl (4R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-11-(2-methylbutan-2-yloxy)-4-tri(propan-2-yl)silyloxyundecanoate?
methyl (4R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-11-(2-methylbutan-2-yloxy)-4-tri(propan-2-yl)silyloxyundecanoate has a molecular weight of 589.06 g/mol, XLogP of 10.05, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-11-(2-methylbutan-2-yloxy)-4-tri(propan-2-yl)silyloxyundecanoate is sourced from PubChem (CID 10973969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).