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1,2-Epoxyhexadecane
CAS: 7320-37-8 | C16H32O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7320-37-8
Molecular Formula:
C16H32O
Molecular Mass:
240.43 g/mol
Names and Synonyms:
1,2-Epoxyhexadecane
Oxirane, 2-tetradecyl-
Hexadecane, 1,2-epoxy-
Oxirane, tetradecyl-
2-Tetradecyloxirane
1,2-Epoxyhexadecane
Hexadecylene oxide
1,2-Hexadecene epoxide
Tetradecyloxirane
Vikolox 16
1,2-Hexadecylene oxide
1,2-Epoxyhexadecene
Cyracure UVR 6216
1-Hexadecene oxide
UVR 6216
Identifiers:
SMILES:
CCCCCCCCCCCCCCC1CO1
InChI:
InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17-16/h16H,2-15H2,1H3
Key Properties
Boiling Point
175-180 °C @ Press: 12 Torr
CAS Common Chemistry
Melting Point
21-22 °C
CAS Common Chemistry
Density
0.85 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 | 240.43 g/mol | CAS Common Chemistry |
| 240.43099999999993 g/mol | RDKit | |
| 240.24531564400002 g/mol | RDKit | |
| Density | 0.85 g/cm³ | CAS Common Chemistry |
| 0.8457 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 175-180 °C @ Press: 12 Torr | CAS Common Chemistry |
| Canonical SMILES | O1CC1CCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17-16/h16H,2-15H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DSZTYVZOIUIIGA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 21-22 °C | CAS Common Chemistry |
| Name | 1,2-Epoxyhexadecane | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.53 Ų | RDKit |
| LogP | 5.476400000000005 | RDKit |
| Molar Refractivity | 75.43500000000007 | RDKit |
