About [10-(2-methylprop-2-enoyloxy)-6-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]deca-2,8-dienyl] 2-methylprop-2-enoate
[10-(2-methylprop-2-enoyloxy)-6-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]deca-2,8-dienyl] 2-methylprop-2-enoate (PubChem CID 74060037) has the molecular formula C26H44O7SSi
and a molecular weight of 528.78 g/mol. Its IUPAC name is [10-(2-methylprop-2-enoyloxy)-6-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]deca-2,8-dienyl] 2-methylprop-2-enoate.
Molecular Properties
| Compound Name | [10-(2-methylprop-2-enoyloxy)-6-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]deca-2,8-dienyl] 2-methylprop-2-enoate |
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| PubChem CID | 74060037 |
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| Molecular Formula | C26H44O7SSi |
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| Molecular Weight | 528.78 g/mol |
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| Exact Mass | 528.26 |
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| IUPAC Name | [10-(2-methylprop-2-enoyloxy)-6-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]deca-2,8-dienyl] 2-methylprop-2-enoate |
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| SMILES | C=C(C)C(=O)OCC=CCCC(CC=CCOC(=O)C(=C)C)CCSCCC[Si](OC)(OC)OC |
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| InChI | InChI=1S/C26H44O7SSi/c1-22(2)25(27)32-17-11-8-9-14-24(15-10-12-18-33-26(28)23(3)4)16-20-34-19-13-21-35(29-5,30-6)31-7/h8,10-12,24H,1,3,9,13-21H2,2,4-7H3 |
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| InChIKey | FTNCSIQOSDBIRE-UHFFFAOYSA-N |
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| XLogP | 5.52 |
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| TPSA | 80.29 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 21 |
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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 | 528.78 |
| LogP ≤ 5 | 5.52 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [10-(2-methylprop-2-enoyloxy)-6-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]deca-2,8-dienyl] 2-methylprop-2-enoate?
The IUPAC name of [10-(2-methylprop-2-enoyloxy)-6-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]deca-2,8-dienyl] 2-methylprop-2-enoate (CID 74060037) is [10-(2-methylprop-2-enoyloxy)-6-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]deca-2,8-dienyl] 2-methylprop-2-enoate.
What is the SMILES notation for [10-(2-methylprop-2-enoyloxy)-6-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]deca-2,8-dienyl] 2-methylprop-2-enoate?
The canonical SMILES for [10-(2-methylprop-2-enoyloxy)-6-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]deca-2,8-dienyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC=CCCC(CC=CCOC(=O)C(=C)C)CCSCCC[Si](OC)(OC)OC.
What is the InChIKey of [10-(2-methylprop-2-enoyloxy)-6-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]deca-2,8-dienyl] 2-methylprop-2-enoate?
The InChIKey is FTNCSIQOSDBIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44O7SSi/c1-22(2)25(27)32-17-11-8-9-14-24(15-10-12-18-33-26(28)23(3)4)16-20-34-19-13-21-35(29-5,30-6)31-7/h8,10-12,24H,1,3,9,13-21H2,2,4-7H3.
What are the key properties of [10-(2-methylprop-2-enoyloxy)-6-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]deca-2,8-dienyl] 2-methylprop-2-enoate?
[10-(2-methylprop-2-enoyloxy)-6-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]deca-2,8-dienyl] 2-methylprop-2-enoate has a molecular weight of 528.78 g/mol, XLogP of 5.52, 21 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [10-(2-methylprop-2-enoyloxy)-6-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]deca-2,8-dienyl] 2-methylprop-2-enoate is sourced from PubChem (CID 74060037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).