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Molecule
Allyl Methyl Ether
CAS: 627-40-7 · C4H8O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 627-40-7
- Molecular Formula
- C4H8O
- Molecular Mass
- 72.11 g/mol
Identifiers
CAS Registry Number
627-40-7
SMILES
C=CCOC
InChI Key
FASUFOTUSHAIHG-UHFFFAOYSA-N
InChI
InChI=1S/C4H8O/c1-3-4-5-2/h3H,1,4H2,2H3
Names and Synonyms
- Allyl Methyl Ether Common Name
- 1-Propene, 3-methoxy- Synonym
- Ether, allyl methyl Synonym
- 3-Methoxy-1-propene Synonym
- Allyl methyl ether Synonym
- 1-Methoxy-2-propene Synonym
- Methyl allyl ether Synonym
- 3-Methoxypropene Synonym
- 4-Oxapent-1-ene Synonym
- Methyl 2-propenyl ether Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 72.11 g/mol | CAS Common Chemistry |
| 72.107 g/mol | RDKit | |
| Density | 0.76 g/cm³ | CAS Common Chemistry |
| 0.7569 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 44 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)CC=C | CAS Common Chemistry |
| InChI | InChI=1S/C4H8O/c1-3-4-5-2/h3H,1,4H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FASUFOTUSHAIHG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Allyl methyl ether | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | 0.8188 | RDKit |
| Molar Refractivity | 22.072999999999993 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 72.057514876 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 72.11 g/mol; density = 0.760 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H8O.
