About [[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl] 3-aminopropylsilyloxysilyl silyl trisilyloxysilyl silicate
[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl] 3-aminopropylsilyloxysilyl silyl trisilyloxysilyl silicate (PubChem CID 123208414) has the molecular formula C10H44N2O9Si10
and a molecular weight of 617.33 g/mol. Its IUPAC name is [[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl] 3-aminopropylsilyloxysilyl silyl trisilyloxysilyl silicate.
Molecular Properties
| Compound Name | [[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl] 3-aminopropylsilyloxysilyl silyl trisilyloxysilyl silicate |
|---|
| PubChem CID | 123208414 |
|---|
| Molecular Formula | C10H44N2O9Si10 |
|---|
| Molecular Weight | 617.33 g/mol |
|---|
| Exact Mass | 616.07 |
|---|
| IUPAC Name | [[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl] 3-aminopropylsilyloxysilyl silyl trisilyloxysilyl silicate |
|---|
| SMILES | C[Si](C)(CCCN)O[Si](C)(C)O[Si](O[SiH3])(O[SiH2]O[SiH2]CCCN)O[Si](O[SiH3])(O[SiH3])O[SiH3] |
|---|
| InChI | InChI=1S/C10H44N2O9Si10/c1-28(2,10-6-8-12)19-29(3,4)20-31(16-25,18-27-17-26-9-5-7-11)21-30(13-22,14-23)15-24/h5-12,26-27H2,1-4,22-25H3 |
|---|
| InChIKey | QVRDTNNKHPUWBY-UHFFFAOYSA-N |
|---|
| XLogP | -5.77 |
|---|
| TPSA | 135.11 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 11 |
|---|
| Rotatable Bonds | 20 |
|---|
| Heavy Atoms | 31 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 617.33 |
| LogP ≤ 5 | -5.77 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 11 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze [[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl] 3-aminopropylsilyloxysilyl silyl trisilyloxysilyl silicate 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 [[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl] 3-aminopropylsilyloxysilyl silyl trisilyloxysilyl silicate?
The IUPAC name of [[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl] 3-aminopropylsilyloxysilyl silyl trisilyloxysilyl silicate (CID 123208414) is [[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl] 3-aminopropylsilyloxysilyl silyl trisilyloxysilyl silicate.
What is the SMILES notation for [[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl] 3-aminopropylsilyloxysilyl silyl trisilyloxysilyl silicate?
The canonical SMILES for [[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl] 3-aminopropylsilyloxysilyl silyl trisilyloxysilyl silicate is C[Si](C)(CCCN)O[Si](C)(C)O[Si](O[SiH3])(O[SiH2]O[SiH2]CCCN)O[Si](O[SiH3])(O[SiH3])O[SiH3].
What is the InChIKey of [[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl] 3-aminopropylsilyloxysilyl silyl trisilyloxysilyl silicate?
The InChIKey is QVRDTNNKHPUWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H44N2O9Si10/c1-28(2,10-6-8-12)19-29(3,4)20-31(16-25,18-27-17-26-9-5-7-11)21-30(13-22,14-23)15-24/h5-12,26-27H2,1-4,22-25H3.
What are the key properties of [[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl] 3-aminopropylsilyloxysilyl silyl trisilyloxysilyl silicate?
[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl] 3-aminopropylsilyloxysilyl silyl trisilyloxysilyl silicate has a molecular weight of 617.33 g/mol, XLogP of -5.77, 20 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl] 3-aminopropylsilyloxysilyl silyl trisilyloxysilyl silicate is sourced from PubChem (CID 123208414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).