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Molecule
1-Methylcyclopropene
CAS: 3100-04-7 · C4H6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3100-04-7
- Molecular Formula
- C4H6
- Molecular Mass
- 54.09 g/mol
Identifiers
CAS Registry Number
3100-04-7
SMILES
CC1=CC1
InChI Key
SHDPRTQPPWIEJG-UHFFFAOYSA-N
InChI
InChI=1S/C4H6/c1-4-2-3-4/h2H,3H2,1H3
Names and Synonyms
- 1-Methylcyclopropene Synonym
- Cyclopropene, 1-methyl- Synonym
- 1-Methylcyclopropene Synonym
- EthylBloc Synonym
- 1-MCP Synonym
- SmartFresh Synonym
- AFXRD 038 Synonym
- AFXRD 020 Synonym
- Fitomag Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 54.09 g/mol | CAS Common Chemistry |
| 54.092000000000006 g/mol | RDKit | |
| 54.092 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1-Methylcyclopropene | CAS Common Chemistry |
| Boiling Point | 8 °C | CAS Common Chemistry |
| Canonical SMILES | C1=C(C)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H6/c1-4-2-3-4/h2H,3H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SHDPRTQPPWIEJG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 75-76 °C | CAS Common Chemistry |
| Name | 1-Methylcyclopropene | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.3364 | RDKit |
| Molar Refractivity | 18.374 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 54.046950192 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 = 54.09 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H6.
