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Cyclohexyl Vinyl Ether
CAS: 2182-55-0 | C8H14O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2182-55-0
Molecular Formula:
C8H14O
Molecular Mass:
126.20 g/mol
Names and Synonyms:
Cyclohexyl Vinyl Ether
CHVE
Cyclohexane, (ethenyloxy)-
Ether, cyclohexyl vinyl
(Ethenyloxy)cyclohexane
Cyclohexyl vinyl ether
NSC 75856
(Cyclohexyloxy)ethene
Vinyloxycyclohexane
Identifiers:
SMILES:
C=COC1CCCCC1
InChI:
InChI=1S/C8H14O/c1-2-9-8-6-4-3-5-7-8/h2,8H,1,3-7H2
Key Properties
Boiling Point
147-148 °C
CAS Common Chemistry
Density
0.89 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 | 126.20 g/mol | CAS Common Chemistry |
| 126.19900000000001 g/mol | RDKit | |
| 126.104465068 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.8883 g/cm3 @ Temp: 420 °C | CAS Common Chemistry | |
| Boiling Point | 147-148 °C | CAS Common Chemistry |
| Canonical SMILES | O(C=C)C1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H14O/c1-2-9-8-6-4-3-5-7-8/h2,8H,1,3-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VGIYPVFBQRUBDD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cyclohexyl vinyl ether | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 2.4792000000000005 | RDKit |
| Molar Refractivity | 38.155 | RDKit |
