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Molecule
Vanadyl Isopropoxide
CAS: 5588-84-1 · C9H21O4V
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5588-84-1
- Molecular Formula
- C9H21O4V
- Molecular Mass
- 244.20 g/mol
Identifiers
CAS Registry Number
5588-84-1
SMILES
CC(C)[O-].CC(C)[O-].CC(C)[O-].[O].[V+3]
InChI Key
DSGGJXAUQHKOGQ-UHFFFAOYSA-N
InChI
InChI=1S/3C3H7O.O.V/c3*1-3(2)4;;/h3*3H,1-2H3;;/q3*-1;;+3
Names and Synonyms
- Vanadyl Isopropoxide Synonym
- Vanadium, oxotris(2-propanolato)-, (T-4)- Synonym
- Vanadic acid (H3VO4), triisopropyl ester Synonym
- Isopropyl vanadate(V) Synonym
- (T-4)-Oxotris(2-propanolato)vanadium Synonym
- Triisopropyl orthovanadate Synonym
- Isopropyl orthovanadate Synonym
- (Triisopropoxy)oxovanadium Synonym
- Vanadyl triisopropoxide Synonym
- Vanadyl isopropylate Synonym
- Vanadium triisopropoxide oxide Synonym
- Tris(isopropoxo)oxovanadium Synonym
- Vanadium oxide triisopropoxide Synonym
- Triisopropoxyvanadium oxide Synonym
- Tri(isopropanolato)oxovanadium Synonym
- Triisopropyl vanadate Synonym
- Tris(isopropanolato)oxo vanadium Synonym
- Vanadium(V) tris(isopropoxide) oxide Synonym
- Oxovanadium triisopropoxide Synonym
- Vanadium(V) oxoisopropoxide Synonym
- Vanadium(V) oxytriisopropoxide Synonym
- Oxovanadium(V) triisopropoxide Synonym
- Vanadium oxytriisopropoxide Synonym
- Vanadyloxytriisopropoxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 244.20 g/mol | CAS Common Chemistry |
| 244.207 g/mol | RDKit | |
| 251.261 g/mol | chempirical lib | |
| 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 |
| 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 |
| 97.68 Ų | RDKit | |
| LogP | -0.8559999999999977 | RDKit |
| -0.856 | RDKit | |
| Molar Refractivity | 46.09450000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 244.087943652 g/mol | RDKit |
| Boiling Point | 80-82 °C @ 2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 244.20 g/mol; density = 1.030 g/mL. Edit any field — others recompute live.
