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Molecule
Propane, 1-tert-butoxy-2,3-epoxy-
CAS: 7665-72-7 · C7H14O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7665-72-7
- Molecular Formula
- C7H14O2
- Molecular Mass
- 130.19 g/mol
Identifiers
CAS Registry Number
7665-72-7
SMILES
CC(C)(C)OCC1CO1
InChI Key
SFJRUJUEMVAZLM-UHFFFAOYSA-N
InChI
InChI=1S/C7H14O2/c1-7(2,3)9-5-6-4-8-6/h6H,4-5H2,1-3H3
Names and Synonyms
- Propane, 1-tert-butoxy-2,3-epoxy- Synonym
- 2-[(1,1-Dimethylethoxy)Methyl]Oxirane Synonym
- Oxirane, 2-[(1,1-dimethylethoxy)methyl]- Synonym
- Oxirane, [(1,1-dimethylethoxy)methyl]- Synonym
- 2-[(1,1-Dimethylethoxy)methyl]oxirane Synonym
- tert-Butyl glycidyl ether Synonym
- 1,1-Dimethylethyl glycidyl ether Synonym
- (tert-Butoxymethyl)oxirane Synonym
- 1-tert-Butoxy-2,3-epoxypropane Synonym
- 2,3-Epoxypropyl-tert-butyl ether Synonym
- tert-Butyl 2,3-epoxypropyl ether Synonym
- (±)-tert-Butylglycidyl ether Synonym
- Glycidyl tert-butyl ether Synonym
- 2-(tert-Butoxymethyl)oxirane Synonym
- 3-tert-Butoxy-1,2-epoxypropane Synonym
- 2-Trimethylmethoxymethyloxirane Synonym
- p-tert-Butyl glycidyl ether Synonym
- 2-[(2-Methylpropan-2-yl)oxymethyl]oxirane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Boiling Point | 152 °C | CAS Common Chemistry |
| Canonical SMILES | O1CC1COC(C)(C)C | CAS Common Chemistry |
| Molecular Mass | 130.19 g/mol | CAS Common Chemistry |
| 130.18699999999998 g/mol | RDKit | |
| 130.187 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.9208 g/cm3 @ 20 °C | CAS Common Chemistry | |
| InChI | InChI=1S/C7H14O2/c1-7(2,3)9-5-6-4-8-6/h6H,4-5H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SFJRUJUEMVAZLM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -70 °C | CAS Common Chemistry |
| Name | 2-[(1,1-Dimethylethoxy)methyl]oxirane | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 21.759999999999998 Ų | RDKit |
| 21.76 Ų | RDKit | |
| LogP | 1.2003000000000001 | RDKit |
| 1.2003 | RDKit | |
| Molar Refractivity | 35.44499999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 130.099379688 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 130.19 g/mol; density = 0.920 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H14O2.
