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Propargyl Tetrahydropyranyl Ether
CAS: 6089-04-9 | C8H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6089-04-9
Molecular Formula:
C8H12O2
Molecular Weight:
140.182 g/mol
Names and Synonyms:
Propargyl Tetrahydropyranyl Ether
2-Prop-2-ynoxyoxane
2-(Prop-2-yn-1-yloxy)oxane
Oct-2-yne-1-ol
2-(2-Propyn-1-yloxy)tetrahydro-2H-pyran
1-(Tetrahydro-2H-pyranyloxy)-2-propyne
3-[(Tetrahydro-2H-pyran-2-yl)oxy]-1-propyne
2-Propynyl tetrahydropyran ether
2-Propynyl tetrahydro-2H-pyran-2-yl ether
NSC 152714
Propargyl (tetrahydro-2H-pyran-2-yl) ether
Tetrahydropyranyl propargyl ether
(±)-Tetrahydro-2-(2-propynyloxy)-2H-pyran
2-(2-Propynyloxy)tetrahydro-2H-pyran
3,4,5,6-Tetrahydro-2-(2-propynyloxy)-2H-pyran
O-Tetrahydropyranylpropargyl alcohol
(2-Propynyloxy)tetrahydropyran
Tetrahydro-2-(2-propynyloxy)pyran
3-(Tetrahydropyranyloxy)propyne
Tetrahydropyran-2-yloxypropyne
Propargyl tetrahydropyranyl ether
1-(Tetrahydropyranyloxy)prop-2-yne
3-Tetrahydropyranyloxyprop-1-yne
2-Propynyl tetrahydro-2-pyranyl ether
2-Propargyloxane
Propargyl alcohol tetrahydropyranyl ether
2-(2-Propynyloxy)tetrahydropyran
3-(Tetrahydro-2-pyranyloxy)propyne
3-(2′-Tetrahydropyranyloxy)propyne
2-(Propargyloxy)tetrahydropyran
1-Tetrahydropyran-2-yloxy-2-propyne
Tetrahydro-2-(2-propynyloxy)-2H-pyran
Propargyl 2-tetrahydropyranyl ether
1-(2′-Tetrahydropyranyloxy)-2-propyne
3-(Tetrahydropyran-2-yloxy)prop-1-yne
Tetrahydro-2-(2-propyn-1-yloxy)-2H-pyran
Pyran, tetrahydro-2-(2-propynyloxy)-
2H-Pyran, tetrahydro-2-(2-propynyloxy)-
2H-Pyran, tetrahydro-2-(2-propyn-1-yloxy)-
Identifiers:
SMILES:
C#CCOC1CCCCO1
InChI:
InChI=1S/C8H12O2/c1-2-6-9-8-5-3-4-7-10-8/h1,8H,3-7H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 140.18 g/mol | Legacy Database |
| density | 1.00 g/cm³ | Legacy Database |
| cas-boiling-point | 78 °C @ Press: 25 Torr None | Legacy Database |
| cas-canonical-smile | C#CCOC1OCCCC1 None | Legacy Database |
| cas-density | 0.9965 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C8H12O2/c1-2-6-9-8-5-3-4-7-10-8/h1,8H,3-7H2 None | Legacy Database |
| cas-inchi-key | InChIKey=HQAXHIGPGBPPFU-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Propargyl tetrahydropyranyl ether None | Legacy Database |
| LogP | 1.1628 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 140.182 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 140.083729624 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 18.46 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 38.376000000000005 | RDKit |
