TITANIUM TETRAISOPROPYLATE
General Information
| Mainterm | TITANIUM TETRAISOPROPYLATE |
| CAS Reg.No.(or other ID) | 546-68-9 |
| Regnum |
175.105 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 11026 |
| IUPAC Name | propan-2-olate;titanium(4+) |
| InChI | InChI=1S/4C3H7O.Ti/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4 |
| InChI Key | VXUYXOFXAQZZMF-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4] |
| Molecular Formula | C12H28O4Ti |
| Wikipedia | titanium tetraisopropoxide |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 284.219 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Complexity | 10.8 |
| CACTVS Substructure Key Fingerprint | A A A D c e B w O A A A A A I A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A G g A A A A A A C B S g g A I C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 92.2 |
| Monoisotopic Mass | 284.147 |
| Exact Mass | 284.147 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 5 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic salts |
| Class | Organic metal salts |
| Subclass | Organic transition metal salts |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Organic transition metal salts |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Organic transition metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Alkoxide - Organooxygen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as organic transition metal salts. These are organic salt compounds containing a transition metal atom in its ionic form. |
From ClassyFire