About ethyl-[3-[ethyl-methyl-[(2-methylpropan-2-yl)oxy]silyl]propyl]-methyl-propan-2-yloxysilane
ethyl-[3-[ethyl-methyl-[(2-methylpropan-2-yl)oxy]silyl]propyl]-methyl-propan-2-yloxysilane (PubChem CID 59538080) has the molecular formula C16H38O2Si2
and a molecular weight of 318.65 g/mol. Its IUPAC name is ethyl-[3-[ethyl-methyl-[(2-methylpropan-2-yl)oxy]silyl]propyl]-methyl-propan-2-yloxysilane.
Molecular Properties
| Compound Name | ethyl-[3-[ethyl-methyl-[(2-methylpropan-2-yl)oxy]silyl]propyl]-methyl-propan-2-yloxysilane |
| PubChem CID | 59538080 |
| Molecular Formula | C16H38O2Si2 |
| Molecular Weight | 318.65 g/mol |
| Exact Mass | 318.24 |
| IUPAC Name | ethyl-[3-[ethyl-methyl-[(2-methylpropan-2-yl)oxy]silyl]propyl]-methyl-propan-2-yloxysilane |
| SMILES | CC[Si](C)(CCC[Si](C)(CC)OC(C)(C)C)OC(C)C |
| InChI | InChI=1S/C16H38O2Si2/c1-10-19(8,17-15(3)4)13-12-14-20(9,11-2)18-16(5,6)7/h15H,10-14H2,1-9H3 |
| InChIKey | QCNXWUYYKRIRKU-UHFFFAOYSA-N |
| XLogP | 5.81 |
| TPSA | 18.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 318.65 |
| LogP ≤ 5 | 5.81 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of ethyl-[3-[ethyl-methyl-[(2-methylpropan-2-yl)oxy]silyl]propyl]-methyl-propan-2-yloxysilane?
The IUPAC name of ethyl-[3-[ethyl-methyl-[(2-methylpropan-2-yl)oxy]silyl]propyl]-methyl-propan-2-yloxysilane (CID 59538080) is ethyl-[3-[ethyl-methyl-[(2-methylpropan-2-yl)oxy]silyl]propyl]-methyl-propan-2-yloxysilane.
What is the SMILES notation for ethyl-[3-[ethyl-methyl-[(2-methylpropan-2-yl)oxy]silyl]propyl]-methyl-propan-2-yloxysilane?
The canonical SMILES for ethyl-[3-[ethyl-methyl-[(2-methylpropan-2-yl)oxy]silyl]propyl]-methyl-propan-2-yloxysilane is CC[Si](C)(CCC[Si](C)(CC)OC(C)(C)C)OC(C)C.
What is the InChIKey of ethyl-[3-[ethyl-methyl-[(2-methylpropan-2-yl)oxy]silyl]propyl]-methyl-propan-2-yloxysilane?
The InChIKey is QCNXWUYYKRIRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38O2Si2/c1-10-19(8,17-15(3)4)13-12-14-20(9,11-2)18-16(5,6)7/h15H,10-14H2,1-9H3.
What are the key properties of ethyl-[3-[ethyl-methyl-[(2-methylpropan-2-yl)oxy]silyl]propyl]-methyl-propan-2-yloxysilane?
ethyl-[3-[ethyl-methyl-[(2-methylpropan-2-yl)oxy]silyl]propyl]-methyl-propan-2-yloxysilane has a molecular weight of 318.65 g/mol, XLogP of 5.81, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[3-[ethyl-methyl-[(2-methylpropan-2-yl)oxy]silyl]propyl]-methyl-propan-2-yloxysilane is sourced from PubChem (CID 59538080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).