Back to Search
Molecule
Tert-Butyl Titanate
CAS: 3087-39-6 · C4H10OTi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3087-39-6
- Molecular Formula
- C4H10OTi
- Molecular Mass
- 121.99 g/mol
Identifiers
CAS Registry Number
3087-39-6
SMILES
CC(C)(C)O.[Ti]
InChI Key
LQYXNJNEDCJEGG-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O.Ti/c1-4(2,3)5;/h5H,1-3H3;
Names and Synonyms
- Tert-Butyl Titanate Synonym
- 2-Propanol, 2-methyl-, titanium(4+) salt (4:1) Synonym
- tert-Butyl alcohol, titanium(4+) salt Synonym
- 2-Propanol, 2-methyl-, titanium(4+) salt Synonym
- tert-Butyl titanate(IV) Synonym
- tert-Butyl titanate(IV) ((C4H9O)4Ti) Synonym
- Tetra-tert-butyl titanate Synonym
- Tetra-tert-butoxytitanium Synonym
- Titanium tetrakis(tert-butoxide) Synonym
- Titanium tert-butylate Synonym
- tert-Butyl orthotitanate Synonym
- Titanium tetra-tert-butoxide Synonym
- Titanium(4+) tert-butoxide Synonym
- Titanium tert-butoxide Synonym
- Titanium(IV) tert-butoxide Synonym
- Tetrakis(tert-butanolato)titanium Synonym
- Titanium tetrakis(t-butoxide) Synonym
- Titanium tetrakis(tert-butanolate) Synonym
- t-Butanol titanium(4+) salt Synonym
- Tetrakis(tert-butoxy)titanium Synonym
- Titanium tetrakis(2-methyl-2-propoxide) Synonym
- tert-Butyl titanate Synonym
- tert-Butoxytitanium (IV) Synonym
- Tetratertbutyl orthotitanate Synonym
- Orgatix TA 80 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 121.99 g/mol | CAS Common Chemistry |
| 122.02111124 g/mol | RDKit | |
| 124.006 g/mol | chempirical lib | |
| Canonical SMILES | [Ti].OC(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H10O.Ti/c1-4(2,3)5;/h5H,1-3H3; | CAS Common Chemistry |
| InChI Key | InChIKey=LQYXNJNEDCJEGG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | tert-Butyl titanate | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | 0.7746999999999999 | RDKit |
| 0.7747 | RDKit | |
| Molar Refractivity | 21.971799999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 121.98999999999998 g/mol | RDKit |
| Boiling Point | 59-60 °C @ 0.3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 121.99 g/mol. Edit any field — others recompute live.
