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Molecule
Isopropyl Vinyl Ether
CAS: 926-65-8 · C5H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 926-65-8
- Molecular Formula
- C5H10O
- Molecular Mass
- 86.13 g/mol
Identifiers
CAS Registry Number
926-65-8
SMILES
C=COC(C)C
InChI Key
GNUGVECARVKIPH-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O/c1-4-6-5(2)3/h4-5H,1H2,2-3H3
Names and Synonyms
- Isopropyl Vinyl Ether Synonym
- Propane, 2-(ethenyloxy)- Synonym
- Ether, isopropyl vinyl Synonym
- 2-(Ethenyloxy)propane Synonym
- Isopropyl vinyl ether Synonym
- Vinyl isopropyl ether Synonym
- Isopropoxyethylene Synonym
- Isopropoxyethene Synonym
- 2-Ethenoxypropane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 86.13 g/mol | CAS Common Chemistry |
| 86.134 g/mol | RDKit | |
| Density | 0.76 g/cm³ | CAS Common Chemistry |
| 0.7560 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 55.5 °C | CAS Common Chemistry |
| Canonical SMILES | O(C=C)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H10O/c1-4-6-5(2)3/h4-5H,1H2,2-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GNUGVECARVKIPH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -140 °C | CAS Common Chemistry |
| Name | Isopropyl vinyl ether | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 1.5549 | RDKit |
| 1.55 | chempirical lib | |
| Molar Refractivity | 26.41799999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 86.07316494 g/mol | RDKit |
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
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MW = 86.13 g/mol; density = 0.760 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H10O.
