About (4-methyl-3-phenyl-3-propan-2-ylpentoxy)silane
(4-methyl-3-phenyl-3-propan-2-ylpentoxy)silane (PubChem CID 123528227) has the molecular formula C15H26OSi
and a molecular weight of 250.46 g/mol. Its IUPAC name is (4-methyl-3-phenyl-3-propan-2-ylpentoxy)silane.
Molecular Properties
| Compound Name | (4-methyl-3-phenyl-3-propan-2-ylpentoxy)silane |
| PubChem CID | 123528227 |
| Molecular Formula | C15H26OSi |
| Molecular Weight | 250.46 g/mol |
| Exact Mass | 250.18 |
| IUPAC Name | (4-methyl-3-phenyl-3-propan-2-ylpentoxy)silane |
| SMILES | CC(C)C(CCO[SiH3])(c1ccccc1)C(C)C |
| InChI | InChI=1S/C15H26OSi/c1-12(2)15(13(3)4,10-11-16-17)14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4,17H3 |
| InChIKey | SFTWACIXTHINFS-UHFFFAOYSA-N |
| XLogP | 2.92 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 250.46 |
| LogP ≤ 5 | 2.92 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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 (4-methyl-3-phenyl-3-propan-2-ylpentoxy)silane?
The IUPAC name of (4-methyl-3-phenyl-3-propan-2-ylpentoxy)silane (CID 123528227) is (4-methyl-3-phenyl-3-propan-2-ylpentoxy)silane.
What is the SMILES notation for (4-methyl-3-phenyl-3-propan-2-ylpentoxy)silane?
The canonical SMILES for (4-methyl-3-phenyl-3-propan-2-ylpentoxy)silane is CC(C)C(CCO[SiH3])(c1ccccc1)C(C)C.
What is the InChIKey of (4-methyl-3-phenyl-3-propan-2-ylpentoxy)silane?
The InChIKey is SFTWACIXTHINFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OSi/c1-12(2)15(13(3)4,10-11-16-17)14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4,17H3.
What are the key properties of (4-methyl-3-phenyl-3-propan-2-ylpentoxy)silane?
(4-methyl-3-phenyl-3-propan-2-ylpentoxy)silane has a molecular weight of 250.46 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-phenyl-3-propan-2-ylpentoxy)silane is sourced from PubChem (CID 123528227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).