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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 Mass:
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
Key Properties
Boiling Point
137 °C @ Press: 760 Torr
CAS Common Chemistry
Density
0.92 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 | 116.16 g/mol | CAS Common Chemistry |
| 116.083729624 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.9186 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 137 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | O(CC1OC1)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H12O2/c1-5(2)7-3-6-4-8-6/h5-6H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NWLUZGJDEZBBRH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-[(1-Methylethoxy)methyl]oxirane | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 21.759999999999998 Ų | RDKit |
| LogP | 0.8102 | RDKit |
| Molar Refractivity | 30.82799999999998 | RDKit |
