About [2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate
[2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate (PubChem CID 162511771) has the molecular formula C26H46N2O13Si
and a molecular weight of 622.74 g/mol. Its IUPAC name is [2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate.
Molecular Properties
| Compound Name | [2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate |
|---|
| PubChem CID | 162511771 |
|---|
| Molecular Formula | C26H46N2O13Si |
|---|
| Molecular Weight | 622.74 g/mol |
|---|
| Exact Mass | 622.28 |
|---|
| IUPAC Name | [2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate |
|---|
| SMILES | C=C(C)C(=O)OCC(C)(COC(=O)C(=C)C)NC(=O)OCCOCCOCCOC(=O)NCCC[Si](OC)(OC)OC |
|---|
| InChI | InChI=1S/C26H46N2O13Si/c1-20(2)22(29)40-18-26(5,19-41-23(30)21(3)4)28-25(32)39-16-14-37-12-11-36-13-15-38-24(31)27-10-9-17-42(33-6,34-7)35-8/h1,3,9-19H2,2,4-8H3,(H,27,31)(H,28,32) |
|---|
| InChIKey | SMJHNLXUICQQBZ-UHFFFAOYSA-N |
|---|
| XLogP | 1.74 |
|---|
| TPSA | 175.41 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 13 |
|---|
| Rotatable Bonds | 23 |
|---|
| Heavy Atoms | 42 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 622.74 |
| LogP ≤ 5 | 1.74 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 13 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
|---|
Analyze [2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate 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 [2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate?
The IUPAC name of [2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate (CID 162511771) is [2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)(COC(=O)C(=C)C)NC(=O)OCCOCCOCCOC(=O)NCCC[Si](OC)(OC)OC.
What is the InChIKey of [2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate?
The InChIKey is SMJHNLXUICQQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N2O13Si/c1-20(2)22(29)40-18-26(5,19-41-23(30)21(3)4)28-25(32)39-16-14-37-12-11-36-13-15-38-24(31)27-10-9-17-42(33-6,34-7)35-8/h1,3,9-19H2,2,4-8H3,(H,27,31)(H,28,32).
What are the key properties of [2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate?
[2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate has a molecular weight of 622.74 g/mol, XLogP of 1.74, 23 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 162511771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).