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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 Weight:
70.091 g/mol
Names and Synonyms:
Vinyloxirane
Synonym
Oxirane, 2-ethenyl-
Synonym
1-Butene, 3,4-epoxy-
Synonym
Oxirane, ethenyl-
Synonym
2-Ethenyloxirane
Synonym
1,2-Epoxy-3-butene
Synonym
Butadiene monoxide
Synonym
Ethenyloxirane
Synonym
1,2-Oxido-3-butene
Synonym
3,4-Epoxy-1-butene
Synonym
Butadiene monoepoxide
Synonym
1,3-Butadiene oxide
Synonym
Vinyloxirane
Synonym
Butene 3,4-epoxide
Synonym
Butadiene epoxide
Synonym
1,3-Butadiene monooxide
Synonym
Butadiene monooxide
Synonym
2-Vinyloxirane
Synonym
Vinyl epoxide
Synonym
1,3-Butadiene monoepoxide
Synonym
Epoxybutadiene
Synonym
(±)-Vinyloxirane
Synonym
NSC 24251
Synonym
NSC 8023
Synonym
1,3-Butadiene monoxide
Synonym
Identifiers:
SMILES:
C=CC1CO1
InChI:
InChI=1S/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2
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 |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 70.091 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 70.041864812 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 12.53 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.5711999999999999 | RDKit |
| molecular_mass | 70.09 g/mol | Legacy Database |
| density | 0.90 g/cm³ | Legacy Database |
| cas-boiling-point | 68 °C None | Legacy Database |
| cas-canonical-smile | O1CC1C=C None | Legacy Database |
| cas-density | 0.9006 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2 None | Legacy Database |
| cas-inchi-key | InChIKey=GXBYFVGCMPJVJX-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -135 °C None | Legacy Database |
| cas-name | Vinyloxirane None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 19.936999999999994 | RDKit |