About dimethyl-bis[2-methyl-5-(2-methylpropyl)-1H-inden-1-yl]silane
dimethyl-bis[2-methyl-5-(2-methylpropyl)-1H-inden-1-yl]silane (PubChem CID 22994945) has the molecular formula C30H40Si
and a molecular weight of 428.74 g/mol. Its IUPAC name is dimethyl-bis[2-methyl-5-(2-methylpropyl)-1H-inden-1-yl]silane.
Molecular Properties
| Compound Name | dimethyl-bis[2-methyl-5-(2-methylpropyl)-1H-inden-1-yl]silane |
| PubChem CID | 22994945 |
| Molecular Formula | C30H40Si |
| Molecular Weight | 428.74 g/mol |
| Exact Mass | 428.29 |
| IUPAC Name | dimethyl-bis[2-methyl-5-(2-methylpropyl)-1H-inden-1-yl]silane |
| SMILES | CC1=Cc2cc(CC(C)C)ccc2C1[Si](C)(C)C1C(C)=Cc2cc(CC(C)C)ccc21 |
| InChI | InChI=1S/C30H40Si/c1-19(2)13-23-9-11-27-25(17-23)15-21(5)29(27)31(7,8)30-22(6)16-26-18-24(14-20(3)4)10-12-28(26)30/h9-12,15-20,29-30H,13-14H2,1-8H3 |
| InChIKey | SRJIMOOHBMDFPL-UHFFFAOYSA-N |
| XLogP | 8.57 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 6 |
| Heavy Atoms | 31 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 428.74 |
| LogP ≤ 5 | 8.57 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze dimethyl-bis[2-methyl-5-(2-methylpropyl)-1H-inden-1-yl]silane 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 dimethyl-bis[2-methyl-5-(2-methylpropyl)-1H-inden-1-yl]silane?
The IUPAC name of dimethyl-bis[2-methyl-5-(2-methylpropyl)-1H-inden-1-yl]silane (CID 22994945) is dimethyl-bis[2-methyl-5-(2-methylpropyl)-1H-inden-1-yl]silane.
What is the SMILES notation for dimethyl-bis[2-methyl-5-(2-methylpropyl)-1H-inden-1-yl]silane?
The canonical SMILES for dimethyl-bis[2-methyl-5-(2-methylpropyl)-1H-inden-1-yl]silane is CC1=Cc2cc(CC(C)C)ccc2C1[Si](C)(C)C1C(C)=Cc2cc(CC(C)C)ccc21.
What is the InChIKey of dimethyl-bis[2-methyl-5-(2-methylpropyl)-1H-inden-1-yl]silane?
The InChIKey is SRJIMOOHBMDFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40Si/c1-19(2)13-23-9-11-27-25(17-23)15-21(5)29(27)31(7,8)30-22(6)16-26-18-24(14-20(3)4)10-12-28(26)30/h9-12,15-20,29-30H,13-14H2,1-8H3.
What are the key properties of dimethyl-bis[2-methyl-5-(2-methylpropyl)-1H-inden-1-yl]silane?
dimethyl-bis[2-methyl-5-(2-methylpropyl)-1H-inden-1-yl]silane has a molecular weight of 428.74 g/mol, XLogP of 8.57, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis[2-methyl-5-(2-methylpropyl)-1H-inden-1-yl]silane is sourced from PubChem (CID 22994945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).