TL;DR: Titanium, dibutoxybis(2-methyl-2,4-pentanediolato(2-)-kappaO2,kappaO4)-mu-oxodi- (CAS 17621-69-1) is a chemical compound with molecular formula C20H50O7Ti2 and molecular weight 498.25153 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(butan-1-ol);bis(2-methylpentane-2,4-diol);titanium;hydrate
Also Known As: Di-n-butoxytitanium 2-methylpentane-2,4-diolate, Dibutoxytitanium 2-methylpentane-2,4-diolate, butan-1-ol; 2-methylpentane-2,4-diol; titanium; hydrate, Dibutoxybis(2-methylpentane-2,4-diolato(2-)-O,O')-mu-oxodititanium, Titanium, dibutoxybis(2-methyl-2,4-pentanediolato(2-)-kappaO2,kappaO4)-mu-oxodi-
| Molecular Formula | C20H50O7Ti2 |
| Molecular Weight | 498.25153 g/mol |
| XLogP | 1.78 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 498.25153 Da |
| Heavy Atoms | 29 |
| Complexity | 243.0 |
| SMILES | CCCCO.CCCCO.CC(CC(C)(C)O)O.CC(CC(C)(C)O)O.O.[Ti].[Ti] |
| InChIKey | FFOJSPSCWXRJRD-UHFFFAOYSA-N |
The XLogP value of 1.78 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Titanium, dibutoxybis(2-methyl-2,4-pentanediolato(2-)-kappaO2,kappaO4)-mu-oxodi-. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Titanium, dibutoxybis(2-methyl-2,4-pentanediolato(2-)-kappaO2,kappaO4)-mu-oxodi-. Following Lipinski's Rule of Five, Titanium, dibutoxybis(2-methyl-2,4-pentanediolato(2-)-kappaO2,kappaO4)-mu-oxodi- has 7 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Titanium, dibutoxybis(2-methyl-2,4-pentanediolato(2-)-kappaO2,kappaO4)-mu-oxodi- is 17621-69-1.
The molecular formula of Titanium, dibutoxybis(2-methyl-2,4-pentanediolato(2-)-kappaO2,kappaO4)-mu-oxodi- is C20H50O7Ti2.
The molecular weight of Titanium, dibutoxybis(2-methyl-2,4-pentanediolato(2-)-kappaO2,kappaO4)-mu-oxodi- is 498.25153 g/mol.
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