Back to Search
2-[(1-Methylethoxy)Methyl]Oxirane
CAS: 4016-14-2 | C6H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4016-14-2
Molecular Formula:
C6H12O2
Molecular Weight:
116.16 g/mol
Names and Synonyms:
2-[(1-Methylethoxy)Methyl]Oxirane
Oxirane, 2-[(1-methylethoxy)methyl]-
Propane, 1,2-epoxy-3-isopropoxy-
Oxirane, [(1-methylethoxy)methyl]-
2-[(1-Methylethoxy)methyl]oxirane
Glycidyl isopropyl ether
3-Isopropoxy-1,2-epoxypropane
(Isopropoxymethyl)oxirane
Isopropyl glycidyl ether
3-Isopropyloxypropylene oxide
1,2-Epoxy-3-isopropoxypropane
2,3-Epoxypropyl isopropyl ether
(±)-Glycidyl isopropyl ether
(Isopropyloxymethyl)oxirane
[(1-Methylethoxy)methyl]oxirane
NSC 4127
NSC 46562
2-(Isopropoxymethyl)oxirane
3-(Isopropoxy)propylene epoxide
2-[(Propan-2-yloxy)methyl]oxirane
2-(Propan-2-yloxymethyl)oxirane
Identifiers:
SMILES:
CC(C)OCC1CO1
InChI:
InChI=1S/C6H12O2/c1-5(2)7-3-6-4-8-6/h5-6H,3-4H2,1-2H3
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 |
|---|---|---|
| cas-inchi-key | InChIKey=NWLUZGJDEZBBRH-UHFFFAOYSA-N None | Legacy Database |
| LogP | 0.8102 | RDKit |
| molecular_mass | 116.16 g/mol | Legacy Database |
| density | 0.92 g/cm³ | Legacy Database |
| cas-boiling-point | 137 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | O(CC1OC1)C(C)C None | Legacy Database |
| cas-density | 0.9186 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H12O2/c1-5(2)7-3-6-4-8-6/h5-6H,3-4H2,1-2H3 None | Legacy Database |
| cas-name | 2-[(1-Methylethoxy)methyl]oxirane None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 116.16 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 116.083729624 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 21.759999999999998 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 30.82799999999998 | RDKit |
