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Oxobis(2,4-Pentanedionato-Κo2,Κo4)Titanium
CAS: 14024-64-7 | C10H14O5Ti
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14024-64-7
Molecular Formula:
C10H14O5Ti
Molecular Mass:
262.08 g/mol
Names and Synonyms:
Oxobis(2,4-Pentanedionato-Κo2,Κo4)Titanium
Titanium, oxobis(2,4-pentanedionato-κO2,κO4)-
Titanium, oxobis(2,4-pentanedionato)-
Titanium, oxobis(2,4-pentanedionato-O,O′)-
Titanium, oxobis(2,4-pentanedionato-κO,κO′)-
Oxobis(2,4-pentanedionato-κO2,κO4)titanium
Titanium oxide bis(acetylacetonate)
Bis(2,4-pentanedionato)titanium oxide
Bis(acetylacetonato)titanium oxide
Titanyl bis(acetylacetonate)
Bis(acetylacetonato)oxotitanium
Titanium acetylacetonate
Titanyl acetylacetonate
Oxotitanium(II) acetylacetonate
Oxotitanium bis(acetylacetonate)
Bis(acetylacetonato)oxotitanium(IV)
NSC 78421
Orgatix TC 410
Titanium(IV) oxyacetylacetonate
Identifiers:
SMILES:
CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.[O].[Ti+2]
InChI:
InChI=1S/2C5H7O2.O.Ti/c2*1-4(6)3-5(2)7;;/h2*3H,1-2H3;;/q2*-1;;+2
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 | 262.08 g/mol | CAS Common Chemistry |
| 262.084 g/mol | RDKit | |
| 262.032069848 g/mol | RDKit | |
| Canonical SMILES | O=[Ti+2]12(O=C([CH-]C(=O1)C)C)O=C([CH-]C(=O2)C)C | CAS Common Chemistry |
| InChI | InChI=1S/2C5H7O2.O.Ti/c2*1-4(6)3-5(2)7;;/h2*3H,1-2H3;;/q2*-1;;+2 | CAS Common Chemistry |
| InChI Key | InChIKey=NVQGUGFHTHIDRH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Oxobis(2,4-pentanedionato-κO2,κO4)titanium | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 96.78 Ų | RDKit |
| LogP | 0.61608 | RDKit |
| Molar Refractivity | 52.01050000000003 | RDKit |
