About 4-tert-butylcyclohexan-1-one;(4-tert-butylcyclohexen-1-yl)oxy-trimethylsilane;trimethyl(prop-2-enyl)silane
4-tert-butylcyclohexan-1-one;(4-tert-butylcyclohexen-1-yl)oxy-trimethylsilane;trimethyl(prop-2-enyl)silane (PubChem CID 160534091) has the molecular formula C29H58O2Si2
and a molecular weight of 494.95 g/mol. Its IUPAC name is 4-tert-butylcyclohexan-1-one;(4-tert-butylcyclohexen-1-yl)oxy-trimethylsilane;trimethyl(prop-2-enyl)silane.
Molecular Properties
| Compound Name | 4-tert-butylcyclohexan-1-one;(4-tert-butylcyclohexen-1-yl)oxy-trimethylsilane;trimethyl(prop-2-enyl)silane |
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| PubChem CID | 160534091 |
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| Molecular Formula | C29H58O2Si2 |
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| Molecular Weight | 494.95 g/mol |
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| Exact Mass | 494.40 |
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| IUPAC Name | 4-tert-butylcyclohexan-1-one;(4-tert-butylcyclohexen-1-yl)oxy-trimethylsilane;trimethyl(prop-2-enyl)silane |
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| SMILES | C=CC[Si](C)(C)C.CC(C)(C)C1CC=C(O[Si](C)(C)C)CC1.CC(C)(C)C1CCC(=O)CC1 |
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| InChI | InChI=1S/C13H26OSi.C10H18O.C6H14Si/c1-13(2,3)11-7-9-12(10-8-11)14-15(4,5)6;1-10(2,3)8-4-6-9(11)7-5-8;1-5-6-7(2,3)4/h9,11H,7-8,10H2,1-6H3;8H,4-7H2,1-3H3;5H,1,6H2,2-4H3 |
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| InChIKey | QVXRHHRVZLGZPJ-UHFFFAOYSA-N |
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| XLogP | 9.87 |
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| TPSA | 26.30 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 494.95 |
| LogP ≤ 5 | 9.87 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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 4-tert-butylcyclohexan-1-one;(4-tert-butylcyclohexen-1-yl)oxy-trimethylsilane;trimethyl(prop-2-enyl)silane?
The IUPAC name of 4-tert-butylcyclohexan-1-one;(4-tert-butylcyclohexen-1-yl)oxy-trimethylsilane;trimethyl(prop-2-enyl)silane (CID 160534091) is 4-tert-butylcyclohexan-1-one;(4-tert-butylcyclohexen-1-yl)oxy-trimethylsilane;trimethyl(prop-2-enyl)silane.
What is the SMILES notation for 4-tert-butylcyclohexan-1-one;(4-tert-butylcyclohexen-1-yl)oxy-trimethylsilane;trimethyl(prop-2-enyl)silane?
The canonical SMILES for 4-tert-butylcyclohexan-1-one;(4-tert-butylcyclohexen-1-yl)oxy-trimethylsilane;trimethyl(prop-2-enyl)silane is C=CC[Si](C)(C)C.CC(C)(C)C1CC=C(O[Si](C)(C)C)CC1.CC(C)(C)C1CCC(=O)CC1.
What is the InChIKey of 4-tert-butylcyclohexan-1-one;(4-tert-butylcyclohexen-1-yl)oxy-trimethylsilane;trimethyl(prop-2-enyl)silane?
The InChIKey is QVXRHHRVZLGZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OSi.C10H18O.C6H14Si/c1-13(2,3)11-7-9-12(10-8-11)14-15(4,5)6;1-10(2,3)8-4-6-9(11)7-5-8;1-5-6-7(2,3)4/h9,11H,7-8,10H2,1-6H3;8H,4-7H2,1-3H3;5H,1,6H2,2-4H3.
What are the key properties of 4-tert-butylcyclohexan-1-one;(4-tert-butylcyclohexen-1-yl)oxy-trimethylsilane;trimethyl(prop-2-enyl)silane?
4-tert-butylcyclohexan-1-one;(4-tert-butylcyclohexen-1-yl)oxy-trimethylsilane;trimethyl(prop-2-enyl)silane has a molecular weight of 494.95 g/mol, XLogP of 9.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylcyclohexan-1-one;(4-tert-butylcyclohexen-1-yl)oxy-trimethylsilane;trimethyl(prop-2-enyl)silane is sourced from PubChem (CID 160534091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).