Back to Search
Molecule
Vinyl Pivalate
CAS: 3377-92-2 · C7H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3377-92-2
- Molecular Formula
- C7H12O2
- Molecular Mass
- 128.17 g/mol
Identifiers
CAS Registry Number
3377-92-2
SMILES
C=COC(=O)C(C)(C)C
InChI Key
YCUBDDIKWLELPD-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O2/c1-5-9-6(8)7(2,3)4/h5H,1H2,2-4H3
Names and Synonyms
- Vinyl Pivalate Common Name
- Propanoic acid, 2,2-dimethyl-, ethenyl ester Synonym
- Pivalic acid, vinyl ester Synonym
- Vinyl pivalate Synonym
- Vinyl trimethylacetate Synonym
- Vynate Neo 5 Synonym
- VeoVa 5 Synonym
- NSC 83563 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 128.17 g/mol | CAS Common Chemistry |
| 128.17099999999996 g/mol | RDKit | |
| 128.171 g/mol | RDKit | |
| Density | 0.88 g/cm³ | CAS Common Chemistry |
| 0.882 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(OC=C)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H12O2/c1-5-9-6(8)7(2,3)4/h5H,1H2,2-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YCUBDDIKWLELPD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Vinyl pivalate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 1.7192 | RDKit |
| 1.74 | chempirical lib | |
| Molar Refractivity | 35.744 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5714 | RDKit |
| 0.57 | chempirical lib | |
| Exact Mass | 128.083729624 g/mol | RDKit |
| Boiling Point | 113-114 °C @ 760 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 = 128.17 g/mol; density = 0.880 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H12O2.
