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Epoxide C 18
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
Identifiers
CAS Registry Number
7390-81-0
SMILES
CCCCCCCCCCCCCCCCC1CO1
InChI Key
QBJWYMFTMJFGOL-UHFFFAOYSA-N
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
Names and Synonyms
- Epoxide C 18 Synonym
- 1,2-Epoxyoctadecane Synonym
- Oxirane, 2-hexadecyl- Synonym
- Octadecane, 1,2-epoxy- Synonym
- Oxirane, hexadecyl- Synonym
- 2-Hexadecyloxirane Synonym
- 1,2-Epoxyoctadecane Synonym
- Octadecylene oxide Synonym
- 1,2-Octadecylene oxide Synonym
- 1,2-Octadecene epoxide Synonym
- Hexadecyloxirane Synonym
- Vikolox 18 Synonym
- Vilolox C16 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 268.48 g/mol | CAS Common Chemistry |
| 268.4849999999999 g/mol | RDKit | |
| 268.485 g/mol | RDKit | |
| 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 |
| 6.2566 | RDKit | |
| 6.73 | chempirical lib | |
| Molar Refractivity | 84.66900000000008 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 268.276615772 g/mol | RDKit |
| Boiling Point | 137 °C @ 0.5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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.
