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2-(Ethenyloxy)-2-Methylpropane
CAS: 926-02-3 | C6H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
926-02-3
Molecular Formula:
C6H12O
Molecular Mass:
100.16 g/mol
Names and Synonyms:
2-(Ethenyloxy)-2-Methylpropane
Propane, 2-(ethenyloxy)-2-methyl-
Ether, tert-butyl vinyl
2-(Ethenyloxy)-2-methylpropane
tert-Butyl vinyl ether
tert-Butoxyethylene
t-Butyl vinyl ether
tert-Butoxyethene
2-Methyl-2-(vinyloxy)propane
2-Ethenoxy-2-methylpropane
Identifiers:
SMILES:
C=COC(C)(C)C
InChI:
InChI=1S/C6H12O/c1-5-7-6(2,3)4/h5H,1H2,2-4H3
Key Properties
Boiling Point
75 °C
CAS Common Chemistry
Melting Point
-112 °C
CAS Common Chemistry
Density
0.77 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 | 100.16 g/mol | CAS Common Chemistry |
| 100.16099999999999 g/mol | RDKit | |
| 100.088815004 g/mol | RDKit | |
| Density | 0.77 g/cm³ | CAS Common Chemistry |
| 0.7726 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 75 °C | CAS Common Chemistry |
| Canonical SMILES | O(C=C)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H12O/c1-5-7-6(2,3)4/h5H,1H2,2-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PGYJSURPYAAOMM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -112 °C | CAS Common Chemistry |
| Name | 2-(Ethenyloxy)-2-methylpropane | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 1.945 | RDKit |
| Molar Refractivity | 31.034999999999982 | RDKit |
