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2-[(1,1-Dimethylethoxy)Methyl]Oxirane
CAS: 7665-72-7 | C7H14O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7665-72-7
Molecular Formula:
C7H14O2
Molecular Weight:
130.18699999999998 g/mol
Names and Synonyms:
2-[(1,1-Dimethylethoxy)Methyl]Oxirane
Oxirane, 2-[(1,1-dimethylethoxy)methyl]-
Oxirane, [(1,1-dimethylethoxy)methyl]-
Propane, 1-tert-butoxy-2,3-epoxy-
2-[(1,1-Dimethylethoxy)methyl]oxirane
tert-Butyl glycidyl ether
1,1-Dimethylethyl glycidyl ether
(tert-Butoxymethyl)oxirane
1-tert-Butoxy-2,3-epoxypropane
2,3-Epoxypropyl-tert-butyl ether
tert-Butyl 2,3-epoxypropyl ether
(±)-tert-Butylglycidyl ether
Glycidyl tert-butyl ether
2-(tert-Butoxymethyl)oxirane
3-tert-Butoxy-1,2-epoxypropane
2-Trimethylmethoxymethyloxirane
p-tert-Butyl glycidyl ether
2-[(2-Methylpropan-2-yl)oxymethyl]oxirane
Identifiers:
SMILES:
CC(C)(C)OCC1CO1
InChI:
InChI=1S/C7H14O2/c1-7(2,3)9-5-6-4-8-6/h6H,4-5H2,1-3H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 130.18699999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 130.099379688 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 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 | 21.759999999999998 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.2003000000000001 | RDKit |
| molecular_mass | 130.19 g/mol | Legacy Database |
| density | 0.92 g/cm³ | Legacy Database |
| cas-boiling-point | 152 °C None | Legacy Database |
| cas-canonical-smile | O1CC1COC(C)(C)C None | Legacy Database |
| cas-density | 0.9208 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C7H14O2/c1-7(2,3)9-5-6-4-8-6/h6H,4-5H2,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=SFJRUJUEMVAZLM-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -70 °C None | Legacy Database |
| cas-name | 2-[(1,1-Dimethylethoxy)methyl]oxirane None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.44499999999999 | RDKit |
