| CAS Number | 144665-26-9 |
| Catalog Number | AG00ACF0(AGN-PC-0PVXJI) |
| Chemical Name | Titanium(IV) diisopropoxidebis(2,2,6,6-tetramethyl-3,5-heptanedionate) |
| IUPAC Name | 5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;propan-2-ol;titanium |
| InChI | InChI=1S/2C11H20O2.2C3H8O.Ti/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;2*1-3(2)4;/h2*7,12H,1-6H3;2*3-4H,1-2H3; |
| InChI Key | JVUATZXZNIJLPZ-UHFFFAOYSA-N |
| MDL Number | MFCD00270939 |
| Molecular Formula | C28H52O6Ti |
| Molecular Weight | 532.5759 |
| SMILES | CC(C)(C)/C([O-])=C/C(C(C)(C)C)=O.CC(C)(C)/C([O-])=C/C(C(C)(C)C)=O.[O-]C(C)C.[O-]C(C)C.[Ti+4] |
| Synonyms | 144665-26-9,
Titanium diisopropoxide bis(tetramethylheptanedionate),
Titanium(IV) diisopropoxidebis(2,2,6,6-tetramethyl-3,5-heptanedionate),
diisopropoxybis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-yloxy)titanium,
CID4226984,
IUPAC: 5-hydroxy-2,2,6,6-tetramethyl-hept-4-en-3-one; Propan-2-ol; Titanium,
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| Complexity | 589 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 5 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 536.356g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 536.617g/mol |
| Monoisotopic Mass | 536.356g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 2 |
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Certificate of Analysis
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