About (2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one
(2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one (PubChem CID 101390610) has the molecular formula C19H32O2Si
and a molecular weight of 320.55 g/mol. Its IUPAC name is (2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one.
Molecular Properties
| Compound Name | (2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one |
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| PubChem CID | 101390610 |
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| Molecular Formula | C19H32O2Si |
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| Molecular Weight | 320.55 g/mol |
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| Exact Mass | 320.22 |
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| IUPAC Name | (2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one |
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| SMILES | C=C(C)[C@H]1CC(O[Si](C)(C)C)=C(C)[C@H]([C@H]2CCCCC2=O)C1 |
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| InChI | InChI=1S/C19H32O2Si/c1-13(2)15-11-17(16-9-7-8-10-18(16)20)14(3)19(12-15)21-22(4,5)6/h15-17H,1,7-12H2,2-6H3/t15-,16-,17-/m1/s1 |
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| InChIKey | CRBORAMTBARCNV-BRWVUGGUSA-N |
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| XLogP | 5.47 |
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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 | 22 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 320.55 |
| LogP ≤ 5 | 5.47 |
| 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 (2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one?
The IUPAC name of (2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one (CID 101390610) is (2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one.
What is the SMILES notation for (2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one?
The canonical SMILES for (2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one is C=C(C)[C@H]1CC(O[Si](C)(C)C)=C(C)[C@H]([C@H]2CCCCC2=O)C1.
What is the InChIKey of (2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one?
The InChIKey is CRBORAMTBARCNV-BRWVUGGUSA-N. The full InChI is InChI=1S/C19H32O2Si/c1-13(2)15-11-17(16-9-7-8-10-18(16)20)14(3)19(12-15)21-22(4,5)6/h15-17H,1,7-12H2,2-6H3/t15-,16-,17-/m1/s1.
What are the key properties of (2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one?
(2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one has a molecular weight of 320.55 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one is sourced from PubChem (CID 101390610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).