About [(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] prop-2-enyl carbonate
[(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] prop-2-enyl carbonate (PubChem CID 59055085) has the molecular formula C33H49N3O5Si
and a molecular weight of 595.86 g/mol. Its IUPAC name is [(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] prop-2-enyl carbonate.
Molecular Properties
| Compound Name | [(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] prop-2-enyl carbonate |
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| PubChem CID | 59055085 |
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| Molecular Formula | C33H49N3O5Si |
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| Molecular Weight | 595.86 g/mol |
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| Exact Mass | 595.34 |
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| IUPAC Name | [(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] prop-2-enyl carbonate |
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| SMILES | C=CCOC(=O)O[C@H](CCCCCCC)CCOCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-] |
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| InChI | InChI=1S/C33H49N3O5Si/c1-6-8-9-10-13-18-29(41-32(37)39-24-7-2)23-25-38-26-28(35-36-34)27-40-42(33(3,4)5,30-19-14-11-15-20-30)31-21-16-12-17-22-31/h7,11-12,14-17,19-22,28-29H,2,6,8-10,13,18,23-27H2,1,3-5H3/t28?,29-/m1/s1 |
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| InChIKey | XMZZHCSACHWKPH-YPJJGMIRSA-N |
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| XLogP | 7.72 |
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| TPSA | 102.75 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 20 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 595.86 |
| LogP ≤ 5 | 7.72 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] prop-2-enyl carbonate?
The IUPAC name of [(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] prop-2-enyl carbonate (CID 59055085) is [(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] prop-2-enyl carbonate.
What is the SMILES notation for [(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] prop-2-enyl carbonate?
The canonical SMILES for [(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] prop-2-enyl carbonate is C=CCOC(=O)O[C@H](CCCCCCC)CCOCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-].
What is the InChIKey of [(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] prop-2-enyl carbonate?
The InChIKey is XMZZHCSACHWKPH-YPJJGMIRSA-N. The full InChI is InChI=1S/C33H49N3O5Si/c1-6-8-9-10-13-18-29(41-32(37)39-24-7-2)23-25-38-26-28(35-36-34)27-40-42(33(3,4)5,30-19-14-11-15-20-30)31-21-16-12-17-22-31/h7,11-12,14-17,19-22,28-29H,2,6,8-10,13,18,23-27H2,1,3-5H3/t28?,29-/m1/s1.
What are the key properties of [(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] prop-2-enyl carbonate?
[(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] prop-2-enyl carbonate has a molecular weight of 595.86 g/mol, XLogP of 7.72, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] prop-2-enyl carbonate is sourced from PubChem (CID 59055085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).