About [2-[dimethyl(trimethylsilyloxy)silyl]carbonyloxy-3-prop-2-enoxypropyl] [dimethyl(trimethylsilyloxy)silyl]formate
[2-[dimethyl(trimethylsilyloxy)silyl]carbonyloxy-3-prop-2-enoxypropyl] [dimethyl(trimethylsilyloxy)silyl]formate (PubChem CID 89474300) has the molecular formula C18H40O7Si4
and a molecular weight of 480.86 g/mol. Its IUPAC name is [2-[dimethyl(trimethylsilyloxy)silyl]carbonyloxy-3-prop-2-enoxypropyl] [dimethyl(trimethylsilyloxy)silyl]formate.
Molecular Properties
| Compound Name | [2-[dimethyl(trimethylsilyloxy)silyl]carbonyloxy-3-prop-2-enoxypropyl] [dimethyl(trimethylsilyloxy)silyl]formate |
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| PubChem CID | 89474300 |
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| Molecular Formula | C18H40O7Si4 |
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| Molecular Weight | 480.86 g/mol |
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| Exact Mass | 480.19 |
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| IUPAC Name | [2-[dimethyl(trimethylsilyloxy)silyl]carbonyloxy-3-prop-2-enoxypropyl] [dimethyl(trimethylsilyloxy)silyl]formate |
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| SMILES | C=CCOCC(COC(=O)[Si](C)(C)O[Si](C)(C)C)OC(=O)[Si](C)(C)O[Si](C)(C)C |
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| InChI | InChI=1S/C18H40O7Si4/c1-12-13-21-14-16(23-18(20)29(10,11)25-27(5,6)7)15-22-17(19)28(8,9)24-26(2,3)4/h12,16H,1,13-15H2,2-11H3 |
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| InChIKey | HSMUGTXRVORPIM-UHFFFAOYSA-N |
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| XLogP | 5.11 |
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| TPSA | 80.29 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 13 |
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| Heavy Atoms | 29 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 480.86 |
| LogP ≤ 5 | 5.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [2-[dimethyl(trimethylsilyloxy)silyl]carbonyloxy-3-prop-2-enoxypropyl] [dimethyl(trimethylsilyloxy)silyl]formate?
The IUPAC name of [2-[dimethyl(trimethylsilyloxy)silyl]carbonyloxy-3-prop-2-enoxypropyl] [dimethyl(trimethylsilyloxy)silyl]formate (CID 89474300) is [2-[dimethyl(trimethylsilyloxy)silyl]carbonyloxy-3-prop-2-enoxypropyl] [dimethyl(trimethylsilyloxy)silyl]formate.
What is the SMILES notation for [2-[dimethyl(trimethylsilyloxy)silyl]carbonyloxy-3-prop-2-enoxypropyl] [dimethyl(trimethylsilyloxy)silyl]formate?
The canonical SMILES for [2-[dimethyl(trimethylsilyloxy)silyl]carbonyloxy-3-prop-2-enoxypropyl] [dimethyl(trimethylsilyloxy)silyl]formate is C=CCOCC(COC(=O)[Si](C)(C)O[Si](C)(C)C)OC(=O)[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of [2-[dimethyl(trimethylsilyloxy)silyl]carbonyloxy-3-prop-2-enoxypropyl] [dimethyl(trimethylsilyloxy)silyl]formate?
The InChIKey is HSMUGTXRVORPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O7Si4/c1-12-13-21-14-16(23-18(20)29(10,11)25-27(5,6)7)15-22-17(19)28(8,9)24-26(2,3)4/h12,16H,1,13-15H2,2-11H3.
What are the key properties of [2-[dimethyl(trimethylsilyloxy)silyl]carbonyloxy-3-prop-2-enoxypropyl] [dimethyl(trimethylsilyloxy)silyl]formate?
[2-[dimethyl(trimethylsilyloxy)silyl]carbonyloxy-3-prop-2-enoxypropyl] [dimethyl(trimethylsilyloxy)silyl]formate has a molecular weight of 480.86 g/mol, XLogP of 5.11, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[dimethyl(trimethylsilyloxy)silyl]carbonyloxy-3-prop-2-enoxypropyl] [dimethyl(trimethylsilyloxy)silyl]formate is sourced from PubChem (CID 89474300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).