About [2-cyclohex-2-en-1-ylethyl-(2-cyclohex-2-en-1-ylethyl-ethoxy-methylsilyl)oxy-methylsilyl] triethyl silicate
[2-cyclohex-2-en-1-ylethyl-(2-cyclohex-2-en-1-ylethyl-ethoxy-methylsilyl)oxy-methylsilyl] triethyl silicate (PubChem CID 23439145) has the molecular formula C26H52O6Si3
and a molecular weight of 544.95 g/mol. Its IUPAC name is [2-cyclohex-2-en-1-ylethyl-(2-cyclohex-2-en-1-ylethyl-ethoxy-methylsilyl)oxy-methylsilyl] triethyl silicate.
Molecular Properties
| Compound Name | [2-cyclohex-2-en-1-ylethyl-(2-cyclohex-2-en-1-ylethyl-ethoxy-methylsilyl)oxy-methylsilyl] triethyl silicate |
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| PubChem CID | 23439145 |
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| Molecular Formula | C26H52O6Si3 |
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| Molecular Weight | 544.95 g/mol |
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| Exact Mass | 544.31 |
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| IUPAC Name | [2-cyclohex-2-en-1-ylethyl-(2-cyclohex-2-en-1-ylethyl-ethoxy-methylsilyl)oxy-methylsilyl] triethyl silicate |
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| SMILES | CCO[Si](C)(CCC1C=CCCC1)O[Si](C)(CCC1C=CCCC1)O[Si](OCC)(OCC)OCC |
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| InChI | InChI=1S/C26H52O6Si3/c1-7-27-33(5,23-21-25-17-13-11-14-18-25)31-34(6,24-22-26-19-15-12-16-20-26)32-35(28-8-2,29-9-3)30-10-4/h13,15,17,19,25-26H,7-12,14,16,18,20-24H2,1-6H3 |
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| InChIKey | LXRGIYWUQFMOKY-UHFFFAOYSA-N |
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| XLogP | 7.24 |
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| TPSA | 55.38 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 18 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 544.95 |
| LogP ≤ 5 | 7.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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 [2-cyclohex-2-en-1-ylethyl-(2-cyclohex-2-en-1-ylethyl-ethoxy-methylsilyl)oxy-methylsilyl] triethyl silicate?
The IUPAC name of [2-cyclohex-2-en-1-ylethyl-(2-cyclohex-2-en-1-ylethyl-ethoxy-methylsilyl)oxy-methylsilyl] triethyl silicate (CID 23439145) is [2-cyclohex-2-en-1-ylethyl-(2-cyclohex-2-en-1-ylethyl-ethoxy-methylsilyl)oxy-methylsilyl] triethyl silicate.
What is the SMILES notation for [2-cyclohex-2-en-1-ylethyl-(2-cyclohex-2-en-1-ylethyl-ethoxy-methylsilyl)oxy-methylsilyl] triethyl silicate?
The canonical SMILES for [2-cyclohex-2-en-1-ylethyl-(2-cyclohex-2-en-1-ylethyl-ethoxy-methylsilyl)oxy-methylsilyl] triethyl silicate is CCO[Si](C)(CCC1C=CCCC1)O[Si](C)(CCC1C=CCCC1)O[Si](OCC)(OCC)OCC.
What is the InChIKey of [2-cyclohex-2-en-1-ylethyl-(2-cyclohex-2-en-1-ylethyl-ethoxy-methylsilyl)oxy-methylsilyl] triethyl silicate?
The InChIKey is LXRGIYWUQFMOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O6Si3/c1-7-27-33(5,23-21-25-17-13-11-14-18-25)31-34(6,24-22-26-19-15-12-16-20-26)32-35(28-8-2,29-9-3)30-10-4/h13,15,17,19,25-26H,7-12,14,16,18,20-24H2,1-6H3.
What are the key properties of [2-cyclohex-2-en-1-ylethyl-(2-cyclohex-2-en-1-ylethyl-ethoxy-methylsilyl)oxy-methylsilyl] triethyl silicate?
[2-cyclohex-2-en-1-ylethyl-(2-cyclohex-2-en-1-ylethyl-ethoxy-methylsilyl)oxy-methylsilyl] triethyl silicate has a molecular weight of 544.95 g/mol, XLogP of 7.24, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclohex-2-en-1-ylethyl-(2-cyclohex-2-en-1-ylethyl-ethoxy-methylsilyl)oxy-methylsilyl] triethyl silicate is sourced from PubChem (CID 23439145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).