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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 Weight:
79.90899999999999 g/mol
Names and Synonyms:
Titanium Tetramethoxide
Common Name
(T-4)-Tetramethoxytitanium
Synonym
Methyl titanate, (MeO)4Ti
Synonym
Orgatix TA 70
Synonym
Tetrakis(methanolato)titanium
Synonym
Tetramethyl orthotitanate
Synonym
Methyl orthotitanate
Synonym
Titanic acid methyl ester
Synonym
Tetramethoxytitanium
Synonym
Titanium tetramethoxide
Synonym
Tetramethyl titanate
Synonym
Titanium, tetramethoxy-
Synonym
Titanium methoxide (Ti(OMe)4)
Synonym
Methyl titanate(IV)
Synonym
Methanol, titanium(4+) salt
Synonym
Methanol, titanium(4+) salt (4:1)
Synonym
Methyl titanate(IV) (Ti(OMe)4)
Synonym
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 79.91 g/mol | Legacy Database |
| cas-canonical-smile | [Ti].OC None | Legacy Database |
| cas-inchi | InChI=1S/CH4O.Ti/c1-2;/h2H,1H3; None | Legacy Database |
| cas-inchi-key | InChIKey=YQXQWFASZYSARF-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Titanium tetramethoxide None | Legacy Database |
| LogP | -0.394 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 79.90899999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 79.974161048 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.23 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 8.1428 | RDKit |