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2,5-Dimethoxy-2,5-Dihydrofuran
CAS: 332-77-4 | C6H10O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
332-77-4
Molecular Formula:
C6H10O3
Molecular Mass:
130.14 g/mol
Names and Synonyms:
2,5-Dimethoxy-2,5-Dihydrofuran
Furan, 2,5-dihydro-2,5-dimethoxy-
2,5-Dihydro-2,5-dimethoxyfuran
2,5-Dimethoxy-2,5-dihydrofuran
NSC 43243
Identifiers:
SMILES:
COC1C=CC(OC)O1
InChI:
InChI=1S/C6H10O3/c1-7-5-3-4-6(8-2)9-5/h3-6H,1-2H3
Key Properties
Boiling Point
161 °C
CAS Common Chemistry
Density
1.07 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 | 130.14 g/mol | CAS Common Chemistry |
| 130.143 g/mol | RDKit | |
| 130.06299418 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.073 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 161 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)C1OC(OC)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H10O3/c1-7-5-3-4-6(8-2)9-5/h3-6H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WXFWXFIWDGJRSC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,5-Dimethoxy-2,5-dihydrofuran | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 0.5177999999999999 | RDKit |
| Molar Refractivity | 31.81899999999999 | RDKit |
