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Molecule
Oxobis(2,4-Pentanedionato-Κo2,Κo4)Titanium
CAS: 14024-64-7 · C10H14O5Ti
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14024-64-7
- Molecular Formula
- C10H14O5Ti
- Molecular Mass
- 262.08 g/mol
Identifiers
CAS Registry Number
14024-64-7
SMILES
CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.[O].[Ti+2]
InChI Key
NVQGUGFHTHIDRH-UHFFFAOYSA-N
InChI
InChI=1S/2C5H7O2.O.Ti/c2*1-4(6)3-5(2)7;;/h2*3H,1-2H3;;/q2*-1;;+2
Names and Synonyms
- Oxobis(2,4-Pentanedionato-Κo2,Κo4)Titanium Synonym
- Titanium, oxobis(2,4-pentanedionato-κO2,κO4)- Synonym
- Titanium, oxobis(2,4-pentanedionato)- Synonym
- Titanium, oxobis(2,4-pentanedionato-O,O′)- Synonym
- Titanium, oxobis(2,4-pentanedionato-κO,κO′)- Synonym
- Oxobis(2,4-pentanedionato-κO2,κO4)titanium Synonym
- Titanium oxide bis(acetylacetonate) Synonym
- Bis(2,4-pentanedionato)titanium oxide Synonym
- Bis(acetylacetonato)titanium oxide Synonym
- Titanyl bis(acetylacetonate) Synonym
- Bis(acetylacetonato)oxotitanium Synonym
- Titanium acetylacetonate Synonym
- Titanyl acetylacetonate Synonym
- Oxotitanium(II) acetylacetonate Synonym
- Oxotitanium bis(acetylacetonate) Synonym
- Bis(acetylacetonato)oxotitanium(IV) Synonym
- NSC 78421 Synonym
- Orgatix TC 410 Synonym
- Titanium(IV) oxyacetylacetonate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 262.08 g/mol | CAS Common Chemistry |
| 262.084 g/mol | RDKit | |
| 268.132 g/mol | chempirical lib | |
| 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 |
| 0.6161 | RDKit | |
| Molar Refractivity | 52.01050000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 262.032069848 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 262.08 g/mol. Edit any field — others recompute live.
