About tert-butyl-[2-[2-[(E)-2-ethoxyethenyl]-4-[(Z)-2-[3-[(E)-prop-1-enyl]cyclopentyl]ethenyl]cyclopentyl]ethoxy]-dimethylsilane
tert-butyl-[2-[2-[(E)-2-ethoxyethenyl]-4-[(Z)-2-[3-[(E)-prop-1-enyl]cyclopentyl]ethenyl]cyclopentyl]ethoxy]-dimethylsilane (PubChem CID 140807584) has the molecular formula C27H48O2Si
and a molecular weight of 432.77 g/mol. Its IUPAC name is tert-butyl-[2-[2-[(E)-2-ethoxyethenyl]-4-[(Z)-2-[3-[(E)-prop-1-enyl]cyclopentyl]ethenyl]cyclopentyl]ethoxy]-dimethylsilane.
Molecular Properties
| Compound Name | tert-butyl-[2-[2-[(E)-2-ethoxyethenyl]-4-[(Z)-2-[3-[(E)-prop-1-enyl]cyclopentyl]ethenyl]cyclopentyl]ethoxy]-dimethylsilane |
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| PubChem CID | 140807584 |
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| Molecular Formula | C27H48O2Si |
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| Molecular Weight | 432.77 g/mol |
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| Exact Mass | 432.34 |
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| IUPAC Name | tert-butyl-[2-[2-[(E)-2-ethoxyethenyl]-4-[(Z)-2-[3-[(E)-prop-1-enyl]cyclopentyl]ethenyl]cyclopentyl]ethoxy]-dimethylsilane |
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| SMILES | C/C=C/C1CCC(/C=C\C2CC(/C=C/OCC)C(CCO[Si](C)(C)C(C)(C)C)C2)C1 |
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| InChI | InChI=1S/C27H48O2Si/c1-8-10-22-11-12-23(19-22)13-14-24-20-25(15-17-28-9-2)26(21-24)16-18-29-30(6,7)27(3,4)5/h8,10,13-15,17,22-26H,9,11-12,16,18-21H2,1-7H3/b10-8+,14-13-,17-15+ |
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| InChIKey | VXURMMYUTVVECV-UUIRNYIYSA-N |
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| XLogP | 8.14 |
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| TPSA | 18.46 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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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
1 violation
| Rule | Value |
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| MW ≤ 500 | 432.77 |
| LogP ≤ 5 | 8.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', '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 tert-butyl-[2-[2-[(E)-2-ethoxyethenyl]-4-[(Z)-2-[3-[(E)-prop-1-enyl]cyclopentyl]ethenyl]cyclopentyl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[2-[(E)-2-ethoxyethenyl]-4-[(Z)-2-[3-[(E)-prop-1-enyl]cyclopentyl]ethenyl]cyclopentyl]ethoxy]-dimethylsilane (CID 140807584) is tert-butyl-[2-[2-[(E)-2-ethoxyethenyl]-4-[(Z)-2-[3-[(E)-prop-1-enyl]cyclopentyl]ethenyl]cyclopentyl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[2-[(E)-2-ethoxyethenyl]-4-[(Z)-2-[3-[(E)-prop-1-enyl]cyclopentyl]ethenyl]cyclopentyl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[2-[(E)-2-ethoxyethenyl]-4-[(Z)-2-[3-[(E)-prop-1-enyl]cyclopentyl]ethenyl]cyclopentyl]ethoxy]-dimethylsilane is C/C=C/C1CCC(/C=C\C2CC(/C=C/OCC)C(CCO[Si](C)(C)C(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl-[2-[2-[(E)-2-ethoxyethenyl]-4-[(Z)-2-[3-[(E)-prop-1-enyl]cyclopentyl]ethenyl]cyclopentyl]ethoxy]-dimethylsilane?
The InChIKey is VXURMMYUTVVECV-UUIRNYIYSA-N. The full InChI is InChI=1S/C27H48O2Si/c1-8-10-22-11-12-23(19-22)13-14-24-20-25(15-17-28-9-2)26(21-24)16-18-29-30(6,7)27(3,4)5/h8,10,13-15,17,22-26H,9,11-12,16,18-21H2,1-7H3/b10-8+,14-13-,17-15+.
What are the key properties of tert-butyl-[2-[2-[(E)-2-ethoxyethenyl]-4-[(Z)-2-[3-[(E)-prop-1-enyl]cyclopentyl]ethenyl]cyclopentyl]ethoxy]-dimethylsilane?
tert-butyl-[2-[2-[(E)-2-ethoxyethenyl]-4-[(Z)-2-[3-[(E)-prop-1-enyl]cyclopentyl]ethenyl]cyclopentyl]ethoxy]-dimethylsilane has a molecular weight of 432.77 g/mol, XLogP of 8.14, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[2-[(E)-2-ethoxyethenyl]-4-[(Z)-2-[3-[(E)-prop-1-enyl]cyclopentyl]ethenyl]cyclopentyl]ethoxy]-dimethylsilane is sourced from PubChem (CID 140807584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).