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3,4-Dihydro-2-Methoxy-2H-Pyran
CAS: 4454-05-1 | C6H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4454-05-1
Molecular Formula:
C6H10O2
Molecular Mass:
114.14 g/mol
Names and Synonyms:
3,4-Dihydro-2-Methoxy-2H-Pyran
2H-Pyran, 3,4-dihydro-2-methoxy-
3,4-Dihydro-2-methoxy-2H-pyran
2,3-Dihydro-2-methoxy-4H-pyran
2-Methoxy-3,4-dihydro-2H-pyran
2-Methoxy-2,3-dihydro-4H-pyran
2-Methoxy-3,4-dihydropyran
3,4-Dihydro-2-methoxypyran
NSC 44974
2H-2-Methoxy-3,4-dihydropyran
Identifiers:
SMILES:
COC1CCC=CO1
InChI:
InChI=1S/C6H10O2/c1-7-6-4-2-3-5-8-6/h3,5-6H,2,4H2,1H3
Key Properties
Boiling Point
136-138 °C
CAS Common Chemistry
Density
1.00 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 | 114.14 g/mol | CAS Common Chemistry |
| 114.14399999999999 g/mol | RDKit | |
| 114.06807956 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 1.0013 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 136-138 °C | CAS Common Chemistry |
| Canonical SMILES | O1C=CCCC1OC | CAS Common Chemistry |
| InChI | InChI=1S/C6H10O2/c1-7-6-4-2-3-5-8-6/h3,5-6H,2,4H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XCYWUZHUTJDTGS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3,4-Dihydro-2-methoxy-2H-pyran | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 1.283 | RDKit |
| Molar Refractivity | 30.255999999999986 | RDKit |
