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Molecule
Titanium Tetramethoxide
CAS: 992-92-7 · CH4OTi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 992-92-7
- Molecular Formula
- CH4OTi
- Molecular Mass
- 79.91 g/mol
Identifiers
CAS Registry Number
992-92-7
SMILES
CO.[Ti]
InChI Key
YQXQWFASZYSARF-UHFFFAOYSA-N
InChI
InChI=1S/CH4O.Ti/c1-2;/h2H,1H3;
Names and Synonyms
- Titanium Tetramethoxide Common Name
- Methyl titanate(IV) (Ti(OMe)4) Synonym
- Methanol, titanium(4+) salt (4:1) Synonym
- Methanol, titanium(4+) salt Synonym
- Methyl titanate(IV) Synonym
- Titanium methoxide (Ti(OMe)4) Synonym
- Titanium, tetramethoxy- Synonym
- Tetramethyl titanate Synonym
- Titanium tetramethoxide Synonym
- Tetramethoxytitanium Synonym
- Titanic acid methyl ester Synonym
- Methyl orthotitanate Synonym
- Tetramethyl orthotitanate Synonym
- Tetrakis(methanolato)titanium Synonym
- Orgatix TA 70 Synonym
- Methyl titanate, (MeO)4Ti Synonym
- (T-4)-Tetramethoxytitanium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 79.91 g/mol | CAS Common Chemistry |
| 79.974161048 g/mol | RDKit | |
| 79.909 g/mol | RDKit | |
| 81.925 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 79.90899999999999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
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MW = 79.91 g/mol. Edit any field — others recompute live.
