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Vanadyl Isopropoxide
CAS: 5588-84-1 | C9H21O4V
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5588-84-1
Molecular Formula:
C9H21O4V
Molecular Mass:
244.20 g/mol
Names and Synonyms:
Vanadyl Isopropoxide
Vanadium, oxotris(2-propanolato)-, (T-4)-
Vanadic acid (H3VO4), triisopropyl ester
Isopropyl vanadate(V)
(T-4)-Oxotris(2-propanolato)vanadium
Triisopropyl orthovanadate
Isopropyl orthovanadate
(Triisopropoxy)oxovanadium
Vanadyl triisopropoxide
Vanadyl isopropylate
Vanadium triisopropoxide oxide
Tris(isopropoxo)oxovanadium
Vanadium oxide triisopropoxide
Triisopropoxyvanadium oxide
Tri(isopropanolato)oxovanadium
Triisopropyl vanadate
Tris(isopropanolato)oxo vanadium
Vanadium(V) tris(isopropoxide) oxide
Oxovanadium triisopropoxide
Vanadium(V) oxoisopropoxide
Vanadium(V) oxytriisopropoxide
Oxovanadium(V) triisopropoxide
Vanadium oxytriisopropoxide
Vanadyloxytriisopropoxide
Identifiers:
SMILES:
CC(C)[O-].CC(C)[O-].CC(C)[O-].[O].[V+3]
InChI:
InChI=1S/3C3H7O.O.V/c3*1-3(2)4;;/h3*3H,1-2H3;;/q3*-1;;+3
Key Properties
Boiling Point
80-82 °C @ Press: 2 Torr
CAS Common Chemistry
Melting Point
-14--11 °C
CAS Common Chemistry
Density
1.03 g/cm³
CAS Common Chemistry
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 | 244.20 g/mol | CAS Common Chemistry |
| 244.207 g/mol | RDKit | |
| 244.087943652 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.029 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Vanadyl_isopropoxide | CAS Common Chemistry |
| Boiling Point | 80-82 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | O=[V](OC(C)C)(OC(C)C)OC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/3C3H7O.O.V/c3*1-3(2)4;;/h3*3H,1-2H3;;/q3*-1;;+3 | CAS Common Chemistry |
| InChI Key | InChIKey=DSGGJXAUQHKOGQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -14--11 °C | CAS Common Chemistry |
| Name | Vanadyl triisopropoxide | CAS Common Chemistry |
| Vanadyl isopropoxide | CAS Common Chemistry | |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 97.67999999999999 Ų | RDKit |
| LogP | -0.8559999999999977 | RDKit |
| Molar Refractivity | 46.09450000000002 | RDKit |
