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3,6-Dioxabicyclo[3.1.0]Hexane
CAS: 285-69-8 | C4H6O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
285-69-8
Molecular Formula:
C4H6O2
Molecular Mass:
86.09 g/mol
Names and Synonyms:
3,6-Dioxabicyclo[3.1.0]Hexane
3,6-Dioxabicyclo[3.1.0]hexane
Furan, 3,4-epoxytetrahydro-
3,4-Epoxytetrahydrofuran
NSC 196231
Identifiers:
SMILES:
C1OCC2OC12
InChI:
InChI=1S/C4H6O2/c1-3-4(6-3)2-5-1/h3-4H,1-2H2
Key Properties
Boiling Point
143-144 °C
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 | 86.09 g/mol | CAS Common Chemistry |
| 86.08999999999999 g/mol | RDKit | |
| 86.036779432 g/mol | RDKit | |
| Boiling Point | 143-144 °C | CAS Common Chemistry |
| Canonical SMILES | O1CC2OC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H6O2/c1-3-4(6-3)2-5-1/h3-4H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=AIUTZIYTEUMXGG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3,6-Dioxabicyclo[3.1.0]hexane | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 21.759999999999998 Ų | RDKit |
| LogP | -0.21599999999999997 | RDKit |
| Molar Refractivity | 19.479999999999997 | RDKit |
