TL;DR: Titanium, (isooctadecanoato-kappaO)(2-propanolato)bis(2-propenoato-kappaO)- (CAS 62125-16-0) is a chemical compound with molecular formula C27H52O7Ti and molecular weight 536.3193 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
16-methylheptadecanoic acid;propan-2-ol;bis(prop-2-enoic acid);titanium
Also Known As: Isopropyl diacryl isostearoyl titanate, Bis(acrylato-O)(isooctadecanoato-O)(propan-2-olato)titanium, Titanium, (isooctadecanoato-kappaO)(2-propanolato)bis(2-propenoato-kappaO)-, Titanium, (isooctadecanoato-.kappa.O)(2-propanolato)bis(2-propenoato-.kappa.O)-, EINECS 263-422-6
| Molecular Formula | C27H52O7Ti |
| Molecular Weight | 536.3193 g/mol |
| XLogP | 7.09 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 17 |
| Exact Mass | 536.3193 Da |
| Heavy Atoms | 35 |
| Complexity | 474.0 |
| SMILES | CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)O.C=CC(=O)O.C=CC(=O)O.[Ti] |
| InChIKey | FDXAEDSUUCCDFG-UHFFFAOYSA-N |
The XLogP value of 7.09 indicates that Titanium, (isooctadecanoato-kappaO)(2-propanolato)bis(2-propenoato-kappaO)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Titanium, (isooctadecanoato-kappaO)(2-propanolato)bis(2-propenoato-kappaO)-. Following Lipinski's Rule of Five, Titanium, (isooctadecanoato-kappaO)(2-propanolato)bis(2-propenoato-kappaO)- has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Titanium, (isooctadecanoato-kappaO)(2-propanolato)bis(2-propenoato-kappaO)- is 62125-16-0.
The molecular formula of Titanium, (isooctadecanoato-kappaO)(2-propanolato)bis(2-propenoato-kappaO)- is C27H52O7Ti.
The molecular weight of Titanium, (isooctadecanoato-kappaO)(2-propanolato)bis(2-propenoato-kappaO)- is 536.3193 g/mol.
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