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Propargyl Tetrahydropyranyl Ether
CAS: 6089-04-9 | C8H12O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
6089-04-9
Molecular Formula:
C8H12O2
Molecular Mass:
140.18 g/mol
Names and Synonyms:
Propargyl Tetrahydropyranyl Ether
2H-Pyran, tetrahydro-2-(2-propyn-1-yloxy)-
2H-Pyran, tetrahydro-2-(2-propynyloxy)-
Pyran, tetrahydro-2-(2-propynyloxy)-
Tetrahydro-2-(2-propyn-1-yloxy)-2H-pyran
3-(Tetrahydropyran-2-yloxy)prop-1-yne
1-(2′-Tetrahydropyranyloxy)-2-propyne
Propargyl 2-tetrahydropyranyl ether
Tetrahydro-2-(2-propynyloxy)-2H-pyran
1-Tetrahydropyran-2-yloxy-2-propyne
2-(Propargyloxy)tetrahydropyran
3-(2′-Tetrahydropyranyloxy)propyne
3-(Tetrahydro-2-pyranyloxy)propyne
2-(2-Propynyloxy)tetrahydropyran
Propargyl alcohol tetrahydropyranyl ether
2-Propargyloxane
2-Propynyl tetrahydro-2-pyranyl ether
3-Tetrahydropyranyloxyprop-1-yne
1-(Tetrahydropyranyloxy)prop-2-yne
Propargyl tetrahydropyranyl ether
Tetrahydropyran-2-yloxypropyne
3-(Tetrahydropyranyloxy)propyne
Tetrahydro-2-(2-propynyloxy)pyran
(2-Propynyloxy)tetrahydropyran
O-Tetrahydropyranylpropargyl alcohol
3,4,5,6-Tetrahydro-2-(2-propynyloxy)-2H-pyran
2-(2-Propynyloxy)tetrahydro-2H-pyran
(±)-Tetrahydro-2-(2-propynyloxy)-2H-pyran
Tetrahydropyranyl propargyl ether
Propargyl (tetrahydro-2H-pyran-2-yl) ether
NSC 152714
2-Propynyl tetrahydro-2H-pyran-2-yl ether
2-Propynyl tetrahydropyran ether
3-[(Tetrahydro-2H-pyran-2-yl)oxy]-1-propyne
1-(Tetrahydro-2H-pyranyloxy)-2-propyne
2-(2-Propyn-1-yloxy)tetrahydro-2H-pyran
Oct-2-yne-1-ol
2-(Prop-2-yn-1-yloxy)oxane
2-Prop-2-ynoxyoxane
Identifiers:
SMILES:
C#CCOC1CCCCO1
InChI:
InChI=1S/C8H12O2/c1-2-6-9-8-5-3-4-7-10-8/h1,8H,3-7H2
Key Properties
Boiling Point
78 °C @ Press: 25 Torr
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 | 140.18 g/mol | CAS Common Chemistry |
| 140.182 g/mol | RDKit | |
| 140.083729624 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 0.9965 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 78 °C @ Press: 25 Torr | CAS Common Chemistry |
| Canonical SMILES | C#CCOC1OCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H12O2/c1-2-6-9-8-5-3-4-7-10-8/h1,8H,3-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HQAXHIGPGBPPFU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Propargyl tetrahydropyranyl ether | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 1.1628 | RDKit |
| Molar Refractivity | 38.376000000000005 | RDKit |
