About trimethyl-[2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentyl-3-trimethylsilyloxyphenoxy]silane
trimethyl-[2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentyl-3-trimethylsilyloxyphenoxy]silane (PubChem CID 164818427) has the molecular formula C27H46O2Si2
and a molecular weight of 458.84 g/mol. Its IUPAC name is trimethyl-[2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentyl-3-trimethylsilyloxyphenoxy]silane.
Molecular Properties
| Compound Name | trimethyl-[2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentyl-3-trimethylsilyloxyphenoxy]silane |
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| PubChem CID | 164818427 |
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| Molecular Formula | C27H46O2Si2 |
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| Molecular Weight | 458.84 g/mol |
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| Exact Mass | 458.30 |
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| IUPAC Name | trimethyl-[2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentyl-3-trimethylsilyloxyphenoxy]silane |
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| SMILES | C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O[Si](C)(C)C)cc(CCCCC)cc1O[Si](C)(C)C |
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| InChI | InChI=1S/C27H46O2Si2/c1-11-12-13-14-22-18-25(28-30(5,6)7)27(26(19-22)29-31(8,9)10)24-17-21(4)15-16-23(24)20(2)3/h17-19,23-24H,2,11-16H2,1,3-10H3/t23-,24+/m0/s1 |
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| InChIKey | FWZOFSHJDAIJQE-BJKOFHAPSA-N |
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| XLogP | 8.86 |
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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 | 31 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 458.84 |
| LogP ≤ 5 | 8.86 |
| 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-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentyl-3-trimethylsilyloxyphenoxy]silane?
The IUPAC name of trimethyl-[2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentyl-3-trimethylsilyloxyphenoxy]silane (CID 164818427) is trimethyl-[2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentyl-3-trimethylsilyloxyphenoxy]silane.
What is the SMILES notation for trimethyl-[2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentyl-3-trimethylsilyloxyphenoxy]silane?
The canonical SMILES for trimethyl-[2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentyl-3-trimethylsilyloxyphenoxy]silane is C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O[Si](C)(C)C)cc(CCCCC)cc1O[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentyl-3-trimethylsilyloxyphenoxy]silane?
The InChIKey is FWZOFSHJDAIJQE-BJKOFHAPSA-N. The full InChI is InChI=1S/C27H46O2Si2/c1-11-12-13-14-22-18-25(28-30(5,6)7)27(26(19-22)29-31(8,9)10)24-17-21(4)15-16-23(24)20(2)3/h17-19,23-24H,2,11-16H2,1,3-10H3/t23-,24+/m0/s1.
What are the key properties of trimethyl-[2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentyl-3-trimethylsilyloxyphenoxy]silane?
trimethyl-[2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentyl-3-trimethylsilyloxyphenoxy]silane has a molecular weight of 458.84 g/mol, XLogP of 8.86, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentyl-3-trimethylsilyloxyphenoxy]silane is sourced from PubChem (CID 164818427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).