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Vinyloxirane
CAS: 930-22-3 | C4H6O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
930-22-3
Molecular Formula:
C4H6O
Molecular Mass:
70.09 g/mol
Names and Synonyms:
Vinyloxirane
Oxirane, 2-ethenyl-
1-Butene, 3,4-epoxy-
Oxirane, ethenyl-
2-Ethenyloxirane
1,2-Epoxy-3-butene
Butadiene monoxide
Ethenyloxirane
1,2-Oxido-3-butene
3,4-Epoxy-1-butene
Butadiene monoepoxide
1,3-Butadiene oxide
Vinyloxirane
Butene 3,4-epoxide
Butadiene epoxide
1,3-Butadiene monooxide
Butadiene monooxide
2-Vinyloxirane
Vinyl epoxide
1,3-Butadiene monoepoxide
Epoxybutadiene
(±)-Vinyloxirane
NSC 24251
NSC 8023
1,3-Butadiene monoxide
Identifiers:
SMILES:
C=CC1CO1
InChI:
InChI=1S/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2
Key Properties
Boiling Point
68 °C
CAS Common Chemistry
Melting Point
-135 °C
CAS Common Chemistry
Density
0.90 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 70.09 g/mol | CAS Common Chemistry |
| 70.091 g/mol | RDKit | |
| 70.041864812 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.9006 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 68 °C | CAS Common Chemistry |
| Canonical SMILES | O1CC1C=C | CAS Common Chemistry |
| InChI | InChI=1S/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GXBYFVGCMPJVJX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -135 °C | CAS Common Chemistry |
| Name | Vinyloxirane | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.53 Ų | RDKit |
| LogP | 0.5711999999999999 | RDKit |
| Molar Refractivity | 19.936999999999994 | RDKit |
