About methyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate
methyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate (PubChem CID 88554059) has the molecular formula C24H60O9Si6
and a molecular weight of 661.25 g/mol. Its IUPAC name is methyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate.
Molecular Properties
| Compound Name | methyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate |
|---|
| PubChem CID | 88554059 |
|---|
| Molecular Formula | C24H60O9Si6 |
|---|
| Molecular Weight | 661.25 g/mol |
|---|
| Exact Mass | 660.29 |
|---|
| IUPAC Name | methyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate |
|---|
| SMILES | COCCC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCCOCCCC(=O)OC)O[Si](C)(C)O[Si](C)(C)C |
|---|
| InChI | InChI=1S/C24H60O9Si6/c1-26-19-16-22-38(13,31-36(9,10)29-34(3,4)5)33-39(14,32-37(11,12)30-35(6,7)8)23-17-21-28-20-15-18-24(25)27-2/h15-23H2,1-14H3 |
|---|
| InChIKey | PAXHEQFOFFZOFG-UHFFFAOYSA-N |
|---|
| XLogP | 6.68 |
|---|
| TPSA | 90.91 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 9 |
|---|
| Rotatable Bonds | 22 |
|---|
| Heavy Atoms | 39 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 661.25 |
| LogP ≤ 5 | 6.68 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze methyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of methyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate?
The IUPAC name of methyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate (CID 88554059) is methyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate.
What is the SMILES notation for methyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate?
The canonical SMILES for methyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate is COCCC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCCOCCCC(=O)OC)O[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of methyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate?
The InChIKey is PAXHEQFOFFZOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H60O9Si6/c1-26-19-16-22-38(13,31-36(9,10)29-34(3,4)5)33-39(14,32-37(11,12)30-35(6,7)8)23-17-21-28-20-15-18-24(25)27-2/h15-23H2,1-14H3.
What are the key properties of methyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate?
methyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate has a molecular weight of 661.25 g/mol, XLogP of 6.68, 22 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate is sourced from PubChem (CID 88554059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).