About [(2R)-1-tri(propan-2-yl)silyloxybut-3-en-2-yl] (2R)-2-prop-1-en-2-yl-5-tri(propan-2-yl)silylpent-4-ynoate
[(2R)-1-tri(propan-2-yl)silyloxybut-3-en-2-yl] (2R)-2-prop-1-en-2-yl-5-tri(propan-2-yl)silylpent-4-ynoate (PubChem CID 162404893) has the molecular formula C30H56O3Si2
and a molecular weight of 520.95 g/mol. Its IUPAC name is [(2R)-1-tri(propan-2-yl)silyloxybut-3-en-2-yl] (2R)-2-prop-1-en-2-yl-5-tri(propan-2-yl)silylpent-4-ynoate.
Molecular Properties
| Compound Name | [(2R)-1-tri(propan-2-yl)silyloxybut-3-en-2-yl] (2R)-2-prop-1-en-2-yl-5-tri(propan-2-yl)silylpent-4-ynoate |
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| PubChem CID | 162404893 |
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| Molecular Formula | C30H56O3Si2 |
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| Molecular Weight | 520.95 g/mol |
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| Exact Mass | 520.38 |
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| IUPAC Name | [(2R)-1-tri(propan-2-yl)silyloxybut-3-en-2-yl] (2R)-2-prop-1-en-2-yl-5-tri(propan-2-yl)silylpent-4-ynoate |
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| SMILES | C=C[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)OC(=O)[C@H](CC#C[Si](C(C)C)(C(C)C)C(C)C)C(=C)C |
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| InChI | InChI=1S/C30H56O3Si2/c1-16-28(20-32-35(25(10)11,26(12)13)27(14)15)33-30(31)29(21(2)3)18-17-19-34(22(4)5,23(6)7)24(8)9/h16,22-29H,1-2,18,20H2,3-15H3/t28-,29-/m1/s1 |
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| InChIKey | GLGVGKWLEHDENF-FQLXRVMXSA-N |
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| XLogP | 9.08 |
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| TPSA | 35.53 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 | 35 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 520.95 |
| LogP ≤ 5 | 9.08 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'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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Analyze [(2R)-1-tri(propan-2-yl)silyloxybut-3-en-2-yl] (2R)-2-prop-1-en-2-yl-5-tri(propan-2-yl)silylpent-4-ynoate with MolForge
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Frequently Asked Questions
What is the IUPAC name of [(2R)-1-tri(propan-2-yl)silyloxybut-3-en-2-yl] (2R)-2-prop-1-en-2-yl-5-tri(propan-2-yl)silylpent-4-ynoate?
The IUPAC name of [(2R)-1-tri(propan-2-yl)silyloxybut-3-en-2-yl] (2R)-2-prop-1-en-2-yl-5-tri(propan-2-yl)silylpent-4-ynoate (CID 162404893) is [(2R)-1-tri(propan-2-yl)silyloxybut-3-en-2-yl] (2R)-2-prop-1-en-2-yl-5-tri(propan-2-yl)silylpent-4-ynoate.
What is the SMILES notation for [(2R)-1-tri(propan-2-yl)silyloxybut-3-en-2-yl] (2R)-2-prop-1-en-2-yl-5-tri(propan-2-yl)silylpent-4-ynoate?
The canonical SMILES for [(2R)-1-tri(propan-2-yl)silyloxybut-3-en-2-yl] (2R)-2-prop-1-en-2-yl-5-tri(propan-2-yl)silylpent-4-ynoate is C=C[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)OC(=O)[C@H](CC#C[Si](C(C)C)(C(C)C)C(C)C)C(=C)C.
What is the InChIKey of [(2R)-1-tri(propan-2-yl)silyloxybut-3-en-2-yl] (2R)-2-prop-1-en-2-yl-5-tri(propan-2-yl)silylpent-4-ynoate?
The InChIKey is GLGVGKWLEHDENF-FQLXRVMXSA-N. The full InChI is InChI=1S/C30H56O3Si2/c1-16-28(20-32-35(25(10)11,26(12)13)27(14)15)33-30(31)29(21(2)3)18-17-19-34(22(4)5,23(6)7)24(8)9/h16,22-29H,1-2,18,20H2,3-15H3/t28-,29-/m1/s1.
What are the key properties of [(2R)-1-tri(propan-2-yl)silyloxybut-3-en-2-yl] (2R)-2-prop-1-en-2-yl-5-tri(propan-2-yl)silylpent-4-ynoate?
[(2R)-1-tri(propan-2-yl)silyloxybut-3-en-2-yl] (2R)-2-prop-1-en-2-yl-5-tri(propan-2-yl)silylpent-4-ynoate has a molecular weight of 520.95 g/mol, XLogP of 9.08, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-tri(propan-2-yl)silyloxybut-3-en-2-yl] (2R)-2-prop-1-en-2-yl-5-tri(propan-2-yl)silylpent-4-ynoate is sourced from PubChem (CID 162404893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).