About trimethyl(2-prop-2-enoxyethylsulfanylmethyl)silane
trimethyl(2-prop-2-enoxyethylsulfanylmethyl)silane (PubChem CID 23024179) has the molecular formula C9H20OSSi
and a molecular weight of 204.41 g/mol. Its IUPAC name is trimethyl(2-prop-2-enoxyethylsulfanylmethyl)silane.
Molecular Properties
| Compound Name | trimethyl(2-prop-2-enoxyethylsulfanylmethyl)silane |
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| PubChem CID | 23024179 |
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| Molecular Formula | C9H20OSSi |
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| Molecular Weight | 204.41 g/mol |
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| Exact Mass | 204.10 |
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| IUPAC Name | trimethyl(2-prop-2-enoxyethylsulfanylmethyl)silane |
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| SMILES | C=CCOCCSC[Si](C)(C)C |
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| InChI | InChI=1S/C9H20OSSi/c1-5-6-10-7-8-11-9-12(2,3)4/h5H,1,6-9H2,2-4H3 |
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| InChIKey | DPNWNCXBYMUPLV-UHFFFAOYSA-N |
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| XLogP | 2.80 |
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| TPSA | 9.23 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 12 |
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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 | 204.41 |
| LogP ≤ 5 | 2.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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 trimethyl(2-prop-2-enoxyethylsulfanylmethyl)silane?
The IUPAC name of trimethyl(2-prop-2-enoxyethylsulfanylmethyl)silane (CID 23024179) is trimethyl(2-prop-2-enoxyethylsulfanylmethyl)silane.
What is the SMILES notation for trimethyl(2-prop-2-enoxyethylsulfanylmethyl)silane?
The canonical SMILES for trimethyl(2-prop-2-enoxyethylsulfanylmethyl)silane is C=CCOCCSC[Si](C)(C)C.
What is the InChIKey of trimethyl(2-prop-2-enoxyethylsulfanylmethyl)silane?
The InChIKey is DPNWNCXBYMUPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OSSi/c1-5-6-10-7-8-11-9-12(2,3)4/h5H,1,6-9H2,2-4H3.
What are the key properties of trimethyl(2-prop-2-enoxyethylsulfanylmethyl)silane?
trimethyl(2-prop-2-enoxyethylsulfanylmethyl)silane has a molecular weight of 204.41 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-prop-2-enoxyethylsulfanylmethyl)silane is sourced from PubChem (CID 23024179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).