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Molecule
1,2-Epoxyhexadecane
CAS: 7320-37-8 · C16H32O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7320-37-8
- Molecular Formula
- C16H32O
- Molecular Mass
- 240.43 g/mol
Identifiers
CAS Registry Number
7320-37-8
SMILES
CCCCCCCCCCCCCCC1CO1
InChI Key
DSZTYVZOIUIIGA-UHFFFAOYSA-N
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
Names and Synonyms
- 1,2-Epoxyhexadecane Synonym
- Oxirane, 2-tetradecyl- Synonym
- Hexadecane, 1,2-epoxy- Synonym
- Oxirane, tetradecyl- Synonym
- 2-Tetradecyloxirane Synonym
- 1,2-Epoxyhexadecane Synonym
- Hexadecylene oxide Synonym
- 1,2-Hexadecene epoxide Synonym
- Tetradecyloxirane Synonym
- Vikolox 16 Synonym
- 1,2-Hexadecylene oxide Synonym
- 1,2-Epoxyhexadecene Synonym
- Cyracure UVR 6216 Synonym
- 1-Hexadecene oxide Synonym
- UVR 6216 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.43 g/mol | CAS Common Chemistry |
| 240.43099999999993 g/mol | RDKit | |
| 240.431 g/mol | RDKit | |
| Density | 0.85 g/cm³ | CAS Common Chemistry |
| 0.8457 g/cm3 @ 20 °C | 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 |
| 5.4764 | RDKit | |
| 5.95 | chempirical lib | |
| Molar Refractivity | 75.43500000000007 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 240.24531564400002 g/mol | RDKit |
| Boiling Point | 175-180 °C @ 12 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
External Resources
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Quick conversion
MW = 240.43 g/mol; density = 0.850 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H32O.
