About dimethyl 2-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]methyl]prop-2-enyl]propanedioate
dimethyl 2-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]methyl]prop-2-enyl]propanedioate (PubChem CID 10551103) has the molecular formula C22H36O7Si
and a molecular weight of 440.61 g/mol. Its IUPAC name is dimethyl 2-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]methyl]prop-2-enyl]propanedioate.
Molecular Properties
| Compound Name | dimethyl 2-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]methyl]prop-2-enyl]propanedioate |
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| PubChem CID | 10551103 |
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| Molecular Formula | C22H36O7Si |
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| Molecular Weight | 440.61 g/mol |
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| Exact Mass | 440.22 |
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| IUPAC Name | dimethyl 2-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]methyl]prop-2-enyl]propanedioate |
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| SMILES | C=CC1(O[Si](C)(C)C(C)(C)C)CC1(CC(=C)CC(C(=O)OC)C(=O)OC)C(=O)OC |
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| InChI | InChI=1S/C22H36O7Si/c1-11-22(29-30(9,10)20(3,4)5)14-21(22,19(25)28-8)13-15(2)12-16(17(23)26-6)18(24)27-7/h11,16H,1-2,12-14H2,3-10H3 |
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| InChIKey | RNSJBLRHVBIZBP-UHFFFAOYSA-N |
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| XLogP | 3.79 |
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| TPSA | 88.13 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 30 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 440.61 |
| LogP ≤ 5 | 3.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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 dimethyl 2-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]methyl]prop-2-enyl]propanedioate?
The IUPAC name of dimethyl 2-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]methyl]prop-2-enyl]propanedioate (CID 10551103) is dimethyl 2-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]methyl]prop-2-enyl]propanedioate.
What is the SMILES notation for dimethyl 2-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]methyl]prop-2-enyl]propanedioate?
The canonical SMILES for dimethyl 2-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]methyl]prop-2-enyl]propanedioate is C=CC1(O[Si](C)(C)C(C)(C)C)CC1(CC(=C)CC(C(=O)OC)C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]methyl]prop-2-enyl]propanedioate?
The InChIKey is RNSJBLRHVBIZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O7Si/c1-11-22(29-30(9,10)20(3,4)5)14-21(22,19(25)28-8)13-15(2)12-16(17(23)26-6)18(24)27-7/h11,16H,1-2,12-14H2,3-10H3.
What are the key properties of dimethyl 2-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]methyl]prop-2-enyl]propanedioate?
dimethyl 2-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]methyl]prop-2-enyl]propanedioate has a molecular weight of 440.61 g/mol, XLogP of 3.79, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]methyl]prop-2-enyl]propanedioate is sourced from PubChem (CID 10551103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).