About [1,2-dihydroxy-5-tris[[dimethyl(trimethylsilyloxy)silyl]oxy]silylpentan-3-yl] 2-methylprop-2-enoate
[1,2-dihydroxy-5-tris[[dimethyl(trimethylsilyloxy)silyl]oxy]silylpentan-3-yl] 2-methylprop-2-enoate (PubChem CID 54179685) has the molecular formula C24H60O10Si7
and a molecular weight of 705.34 g/mol. Its IUPAC name is [1,2-dihydroxy-5-tris[[dimethyl(trimethylsilyloxy)silyl]oxy]silylpentan-3-yl] 2-methylprop-2-enoate.
Molecular Properties
| Compound Name | [1,2-dihydroxy-5-tris[[dimethyl(trimethylsilyloxy)silyl]oxy]silylpentan-3-yl] 2-methylprop-2-enoate |
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| PubChem CID | 54179685 |
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| Molecular Formula | C24H60O10Si7 |
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| Molecular Weight | 705.34 g/mol |
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| Exact Mass | 704.26 |
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| IUPAC Name | [1,2-dihydroxy-5-tris[[dimethyl(trimethylsilyloxy)silyl]oxy]silylpentan-3-yl] 2-methylprop-2-enoate |
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| SMILES | C=C(C)C(=O)OC(CC[Si](O[Si](C)(C)O[Si](C)(C)C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C)C(O)CO |
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| InChI | InChI=1S/C24H60O10Si7/c1-21(2)24(27)28-23(22(26)20-25)18-19-41(32-38(12,13)29-35(3,4)5,33-39(14,15)30-36(6,7)8)34-40(16,17)31-37(9,10)11/h22-23,25-26H,1,18-20H2,2-17H3 |
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| InChIKey | PAXQJYPXNBXFDG-UHFFFAOYSA-N |
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| XLogP | 5.87 |
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| TPSA | 122.14 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 19 |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 705.34 |
| LogP ≤ 5 | 5.87 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 10 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [1,2-dihydroxy-5-tris[[dimethyl(trimethylsilyloxy)silyl]oxy]silylpentan-3-yl] 2-methylprop-2-enoate?
The IUPAC name of [1,2-dihydroxy-5-tris[[dimethyl(trimethylsilyloxy)silyl]oxy]silylpentan-3-yl] 2-methylprop-2-enoate (CID 54179685) is [1,2-dihydroxy-5-tris[[dimethyl(trimethylsilyloxy)silyl]oxy]silylpentan-3-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [1,2-dihydroxy-5-tris[[dimethyl(trimethylsilyloxy)silyl]oxy]silylpentan-3-yl] 2-methylprop-2-enoate?
The canonical SMILES for [1,2-dihydroxy-5-tris[[dimethyl(trimethylsilyloxy)silyl]oxy]silylpentan-3-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(CC[Si](O[Si](C)(C)O[Si](C)(C)C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C)C(O)CO.
What is the InChIKey of [1,2-dihydroxy-5-tris[[dimethyl(trimethylsilyloxy)silyl]oxy]silylpentan-3-yl] 2-methylprop-2-enoate?
The InChIKey is PAXQJYPXNBXFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H60O10Si7/c1-21(2)24(27)28-23(22(26)20-25)18-19-41(32-38(12,13)29-35(3,4)5,33-39(14,15)30-36(6,7)8)34-40(16,17)31-37(9,10)11/h22-23,25-26H,1,18-20H2,2-17H3.
What are the key properties of [1,2-dihydroxy-5-tris[[dimethyl(trimethylsilyloxy)silyl]oxy]silylpentan-3-yl] 2-methylprop-2-enoate?
[1,2-dihydroxy-5-tris[[dimethyl(trimethylsilyloxy)silyl]oxy]silylpentan-3-yl] 2-methylprop-2-enoate has a molecular weight of 705.34 g/mol, XLogP of 5.87, 19 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2-dihydroxy-5-tris[[dimethyl(trimethylsilyloxy)silyl]oxy]silylpentan-3-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 54179685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).