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Bis(2,4-Pentanedionato-Κo2,Κo4)Bis(2-Propanolato)Titanium
CAS: 17927-72-9 | C16H28O6Ti
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
17927-72-9
Molecular Formula:
C16H28O6Ti
Molecular Mass:
364.26 g/mol
Names and Synonyms:
Bis(2,4-Pentanedionato-Κo2,Κo4)Bis(2-Propanolato)Titanium
Titanium, bis(2,4-pentanedionato-κO2,κO4)bis(2-propanolato)-
Titanium, diisopropoxybis(2,4-pentanedionato)-
Titanium, bis(2,4-pentanedionato-O,O′)bis(2-propanolato)-
Titanium, bis(2,4-pentanedionato-κO,κO′)bis(2-propanolato)-
2-Propanol, titanium complex
Bis(2,4-pentanedionato-κO2,κO4)bis(2-propanolato)titanium
Bis(acetylacetonato)diisopropoxytitanium
Titanium bis(acetoacetonate)diisopropylate
Diisopropoxybis(acetylacetonato)titanium
Diisopropoxytitanium bis(acetylacetonate)
Titanium diisopropoxide bis(acetylacetonate)
Titanium diisopropylate diacetylacetonate
Diisopropoxybis(2,4-pentanedionato)titanium(IV)
Titabond 50
Tyzor AA
Orgatix TC 100
TAA (titanate)
Titanium diisopropoxy bis(acetylacetonate)
TAA
T 50
Bis(acetylacetonato)diisopropanolatotitanium
Titacoat T 50
Bis(acetylacetonato)bis(isopropanolato)titanium
TC 100
AKT 855
Di(isopropoxo)bis(pentane-2,4-dionato)titanium
Tyzor GBA
T 80
T 80 (titanate)
Tyzor AA 75
Vertec KE 2
Bis(acetylacetonate)-titanium-di-isopropylate
Bis(isopropoxy)titanium bis(acetylacetonate)
Titanium bis(2,4-pentanedionate) diisopropoxide
Titanium bis(isopropoxy) bis(acetoacetonate)
Vertec TAA
Titanium diisopropoxide bis(2,4-pentanedionate)
AA 75
KH 802
Tytan TAA
(Diisopropoxy)bis(acetylacetonate)titanium (IV)
A 75
Diisopropoxytitanium diacetylacetonate
TC 120
Orgatix TC 120
Lida LD 801
LD 801
Identifiers:
SMILES:
CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(C)[O-].CC(C)[O-].[Ti+4]
InChI:
InChI=1S/2C5H7O2.2C3H7O.Ti/c2*1-4(6)3-5(2)7;2*1-3(2)4;/h2*3H,1-2H3;2*3H,1-2H3;/q4*-1;+4
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 364.26 g/mol | CAS Common Chemistry |
| 364.2610000000001 g/mol | RDKit | |
| 364.13653491599996 g/mol | RDKit | |
| Canonical SMILES | O1=C([CH-]C(=O[Ti+4]12(O=C([CH-]C(=O2)C)C)([O-]C(C)C)[O-]C(C)C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/2C5H7O2.2C3H7O.Ti/c2*1-4(6)3-5(2)7;2*1-3(2)4;/h2*3H,1-2H3;2*3H,1-2H3;/q4*-1;+4 | CAS Common Chemistry |
| InChI Key | InChIKey=DOOBMVWXHWRGEB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bis(2,4-pentanedionato-κO2,κO4)bis(2-propanolato)titanium | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 114.4 Ų | RDKit |
| LogP | 0.24508000000000174 | RDKit |
| Molar Refractivity | 81.59600000000006 | RDKit |
