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Molecule
Methyl 2-Propen-1-Yl Carbonate
CAS: 35466-83-2 · C5H8O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 35466-83-2
- Molecular Formula
- C5H8O3
- Molecular Mass
- 116.12 g/mol
Identifiers
CAS Registry Number
35466-83-2
SMILES
C=CCOC(=O)OC
InChI Key
YHLVIDQQTOMBGN-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O3/c1-3-4-8-5(6)7-2/h3H,1,4H2,2H3
Names and Synonyms
- Methyl 2-Propen-1-Yl Carbonate Synonym
- Carbonic acid, methyl 2-propen-1-yl ester Synonym
- Carbonic acid, methyl 2-propenyl ester Synonym
- Methyl 2-propen-1-yl carbonate Synonym
- Allyl methyl carbonate Synonym
- Methyl allyl carbonate Synonym
- Methyl 2-propenyl carbonate Synonym
- Ally methyl carbonate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 116.12 g/mol | CAS Common Chemistry |
| 116.11599999999999 g/mol | RDKit | |
| 116.116 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.0261 g/cm3 @ 420 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(OC)OCC=C | CAS Common Chemistry |
| InChI | InChI=1S/C5H8O3/c1-3-4-8-5(6)7-2/h3H,1,4H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YHLVIDQQTOMBGN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Methyl 2-propen-1-yl carbonate | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 0.9554 | RDKit |
| Molar Refractivity | 28.55399999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 116.047344116 g/mol | RDKit |
| Boiling Point | 38 °C @ 18 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 |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 116.12 g/mol; density = 1.030 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H8O3.
