About tert-butyl-dimethyl-[[(2R)-4-methyl-2-[(E)-2-methyl-3-phenylsulfanylprop-1-enyl]-2,5-dihydrofuran-3-yl]methoxy]silane
tert-butyl-dimethyl-[[(2R)-4-methyl-2-[(E)-2-methyl-3-phenylsulfanylprop-1-enyl]-2,5-dihydrofuran-3-yl]methoxy]silane (PubChem CID 15109242) has the molecular formula C22H34O2SSi
and a molecular weight of 390.67 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2R)-4-methyl-2-[(E)-2-methyl-3-phenylsulfanylprop-1-enyl]-2,5-dihydrofuran-3-yl]methoxy]silane.
Molecular Properties
| Compound Name | tert-butyl-dimethyl-[[(2R)-4-methyl-2-[(E)-2-methyl-3-phenylsulfanylprop-1-enyl]-2,5-dihydrofuran-3-yl]methoxy]silane |
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| PubChem CID | 15109242 |
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| Molecular Formula | C22H34O2SSi |
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| Molecular Weight | 390.67 g/mol |
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| Exact Mass | 390.20 |
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| IUPAC Name | tert-butyl-dimethyl-[[(2R)-4-methyl-2-[(E)-2-methyl-3-phenylsulfanylprop-1-enyl]-2,5-dihydrofuran-3-yl]methoxy]silane |
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| SMILES | CC1=C(CO[Si](C)(C)C(C)(C)C)[C@@H](/C=C(\C)CSc2ccccc2)OC1 |
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| InChI | InChI=1S/C22H34O2SSi/c1-17(16-25-19-11-9-8-10-12-19)13-21-20(18(2)14-23-21)15-24-26(6,7)22(3,4)5/h8-13,21H,14-16H2,1-7H3/b17-13+/t21-/m1/s1 |
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| InChIKey | GQPHPDUXLSQDSJ-RYEVTAHJSA-N |
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| XLogP | 6.46 |
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| TPSA | 18.46 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 26 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 390.67 |
| LogP ≤ 5 | 6.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'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 tert-butyl-dimethyl-[[(2R)-4-methyl-2-[(E)-2-methyl-3-phenylsulfanylprop-1-enyl]-2,5-dihydrofuran-3-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2R)-4-methyl-2-[(E)-2-methyl-3-phenylsulfanylprop-1-enyl]-2,5-dihydrofuran-3-yl]methoxy]silane (CID 15109242) is tert-butyl-dimethyl-[[(2R)-4-methyl-2-[(E)-2-methyl-3-phenylsulfanylprop-1-enyl]-2,5-dihydrofuran-3-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2R)-4-methyl-2-[(E)-2-methyl-3-phenylsulfanylprop-1-enyl]-2,5-dihydrofuran-3-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2R)-4-methyl-2-[(E)-2-methyl-3-phenylsulfanylprop-1-enyl]-2,5-dihydrofuran-3-yl]methoxy]silane is CC1=C(CO[Si](C)(C)C(C)(C)C)[C@@H](/C=C(\C)CSc2ccccc2)OC1.
What is the InChIKey of tert-butyl-dimethyl-[[(2R)-4-methyl-2-[(E)-2-methyl-3-phenylsulfanylprop-1-enyl]-2,5-dihydrofuran-3-yl]methoxy]silane?
The InChIKey is GQPHPDUXLSQDSJ-RYEVTAHJSA-N. The full InChI is InChI=1S/C22H34O2SSi/c1-17(16-25-19-11-9-8-10-12-19)13-21-20(18(2)14-23-21)15-24-26(6,7)22(3,4)5/h8-13,21H,14-16H2,1-7H3/b17-13+/t21-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(2R)-4-methyl-2-[(E)-2-methyl-3-phenylsulfanylprop-1-enyl]-2,5-dihydrofuran-3-yl]methoxy]silane?
tert-butyl-dimethyl-[[(2R)-4-methyl-2-[(E)-2-methyl-3-phenylsulfanylprop-1-enyl]-2,5-dihydrofuran-3-yl]methoxy]silane has a molecular weight of 390.67 g/mol, XLogP of 6.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2R)-4-methyl-2-[(E)-2-methyl-3-phenylsulfanylprop-1-enyl]-2,5-dihydrofuran-3-yl]methoxy]silane is sourced from PubChem (CID 15109242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).