TL;DR: Titanium(4+) nonan-1-olate (CAS 6167-42-6) is a chemical compound with molecular formula C36H76O4Ti and molecular weight 620.5223 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tetrakis(nonan-1-olate);titanium(4+)
Also Known As: Titanium(4+) nonan-1-olate, titanium(4+) tetranonan-1-olate, nonan-1-olate;titanium(4+), nonan-1-olate; titanium(4+), C9H20O.1/4Ti
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C36H76O4Ti |
| Molecular Weight | 620.5223 g/mol |
| XLogP | 8.39 |
| Topological Polar Surface Area (TPSA) | 92.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 28 |
| Exact Mass | 620.5223 Da |
| Heavy Atoms | 41 |
| Complexity | 52.0 |
| SMILES | CCCCCCCCC[O-].CCCCCCCCC[O-].CCCCCCCCC[O-].CCCCCCCCC[O-].[Ti+4] |
| InChIKey | AFYFEUSEUHGKGV-UHFFFAOYSA-N |
The XLogP value of 8.39 indicates that Titanium(4+) nonan-1-olate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Titanium(4+) nonan-1-olate. Following Lipinski's Rule of Five, Titanium(4+) nonan-1-olate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Titanium(4+) nonan-1-olate is 6167-42-6.
The molecular formula of Titanium(4+) nonan-1-olate is C36H76O4Ti.
The molecular weight of Titanium(4+) nonan-1-olate is 620.5223 g/mol.
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