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1,2-Epoxyoctadecane
CAS: 7390-81-0 | C18H36O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7390-81-0
Molecular Formula:
C18H36O
Molecular Mass:
268.48 g/mol
Names and Synonyms:
1,2-Epoxyoctadecane
Oxirane, 2-hexadecyl-
Octadecane, 1,2-epoxy-
Oxirane, hexadecyl-
2-Hexadecyloxirane
1,2-Epoxyoctadecane
Octadecylene oxide
1,2-Octadecylene oxide
1,2-Octadecene epoxide
Hexadecyloxirane
Vikolox 18
Epoxide C 18
Vilolox C16
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCC1CO1
InChI:
InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19-18/h18H,2-17H2,1H3
Key Properties
Boiling Point
137 °C @ Press: 0.5 Torr
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 | 268.48 g/mol | CAS Common Chemistry |
| 268.4849999999999 g/mol | RDKit | |
| 268.276615772 g/mol | RDKit | |
| Boiling Point | 137 °C @ Press: 0.5 Torr | CAS Common Chemistry |
| Canonical SMILES | O1CC1CCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19-18/h18H,2-17H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QBJWYMFTMJFGOL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,2-Epoxyoctadecane | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 15 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.53 Ų | RDKit |
| LogP | 6.256600000000007 | RDKit |
| Molar Refractivity | 84.66900000000008 | RDKit |
