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Titanium Tetramethoxide
CAS: 992-92-7 | CH4OTi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
992-92-7
Molecular Formula:
CH4OTi
Molecular Mass:
79.91 g/mol
Names and Synonyms:
Titanium Tetramethoxide
Methyl titanate(IV) (Ti(OMe)4)
Methanol, titanium(4+) salt (4:1)
Methanol, titanium(4+) salt
Methyl titanate(IV)
Titanium methoxide (Ti(OMe)4)
Titanium, tetramethoxy-
Tetramethyl titanate
Titanium tetramethoxide
Tetramethoxytitanium
Titanic acid methyl ester
Methyl orthotitanate
Tetramethyl orthotitanate
Tetrakis(methanolato)titanium
Orgatix TA 70
Methyl titanate, (MeO)4Ti
(T-4)-Tetramethoxytitanium
Identifiers:
SMILES:
CO.[Ti]
InChI:
InChI=1S/CH4O.Ti/c1-2;/h2H,1H3;
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 | 79.91 g/mol | CAS Common Chemistry |
| 79.90899999999999 g/mol | RDKit | |
| 79.974161048 g/mol | RDKit | |
| Canonical SMILES | [Ti].OC | CAS Common Chemistry |
| InChI | InChI=1S/CH4O.Ti/c1-2;/h2H,1H3; | CAS Common Chemistry |
| InChI Key | InChIKey=YQXQWFASZYSARF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Titanium tetramethoxide | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | -0.394 | RDKit |
| Molar Refractivity | 8.1428 | RDKit |
