Back to Search
Molecule
Titanium Tetrapropoxide
CAS: 3087-37-4 · C3H8OTi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3087-37-4
- Molecular Formula
- C3H8OTi
- Molecular Mass
- 107.963 g/mol
Identifiers
CAS Registry Number
3087-37-4
SMILES
CCCO.[Ti]
InChI Key
LTRIWNVAMDZCFN-UHFFFAOYSA-N
InChI
InChI=1S/C3H8O.Ti/c1-2-3-4;/h4H,2-3H2,1H3;
Names and Synonyms
- Titanium Tetrapropoxide Synonym
- 1-Propanol, titanium(4+) salt (4:1) Synonym
- Propyl alcohol, titanium(4+) salt Synonym
- 1-Propanol, titanium(4+) salt Synonym
- Propyl titanate(IV) (Ti(OPr)4) Synonym
- Titanium, tetrapropoxy- Synonym
- Titanium propoxide (Ti(OPr)4) Synonym
- Tetrapropyl titanate Synonym
- Titanium tetrapropoxide Synonym
- Titanium tetrapropylate Synonym
- Tetrapropoxytitanium Synonym
- Tetra-n-propyl titanate Synonym
- Tetrapropyl orthotitanate Synonym
- Titanium tetrapropoxide (Ti(OPr)4) Synonym
- Titanium(4+) propoxide Synonym
- Tetrakis(propoxy)titanium Synonym
- Titanium propylate Synonym
- Propyl titanate Synonym
- Titanium(IV) propoxide Synonym
- Titanium tetrakis(1-propoxide) Synonym
- Tetrapropoxy titanate Synonym
- Tyzor NPT Synonym
- Titanium tetra-n-propylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | [Ti].OCCC | CAS Common Chemistry |
| InChI | InChI=1S/C3H8O.Ti/c1-2-3-4;/h4H,2-3H2,1H3; | CAS Common Chemistry |
| InChI Key | InChIKey=LTRIWNVAMDZCFN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Titanium tetrapropoxide | CAS Common Chemistry |
| Molecular Mass | 107.963 g/mol | RDKit |
| 108.005461176 g/mol | RDKit | |
| 109.979 g/mol | chempirical lib | |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 0.38620000000000004 | RDKit |
| 0.3862 | RDKit | |
| Molar Refractivity | 17.376800000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 107.96 g/mol | 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 = 107.96 g/mol. Edit any field — others recompute live.
