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Molecule
1,2-Epoxytetradecane
CAS: 3234-28-4 · C14H28O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3234-28-4
- Molecular Formula
- C14H28O
- Molecular Mass
- 212.38 g/mol
Identifiers
CAS Registry Number
3234-28-4
SMILES
CCCCCCCCCCCCC1CO1
InChI Key
IOHJQSFEAYDZGF-UHFFFAOYSA-N
InChI
InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15-14/h14H,2-13H2,1H3
Names and Synonyms
- 1,2-Epoxytetradecane Systematic Name
- Oxirane, 2-dodecyl- Synonym
- Tetradecane, 1,2-epoxy- Synonym
- Oxirane, dodecyl- Synonym
- 2-Dodecyloxirane Synonym
- Tetradecylene oxide Synonym
- 1,2-Epoxytetradecane Synonym
- 1-Tetradecene oxide Synonym
- Dodecyloxirane Synonym
- 1,2-Tetradecylene oxide Synonym
- 1,2-Tetradecene oxide Synonym
- (±)-1,2-Epoxytetradecane Synonym
- (±)-Dodecyloxirane Synonym
- Epoxide C 14 Synonym
- Vikolox 14 Synonym
- Vikolox C12 Synonym
- α-Tetradecene oxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 212.38 g/mol | CAS Common Chemistry |
| 212.37699999999995 g/mol | RDKit | |
| 212.377 g/mol | RDKit | |
| Density | 0.85 g/cm³ | CAS Common Chemistry |
| 0.845 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O1CC1CCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15-14/h14H,2-13H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IOHJQSFEAYDZGF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 185-186 °C (decomp) | CAS Common Chemistry |
| Name | 1,2-Epoxytetradecane | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.53 Ų | RDKit |
| LogP | 4.696200000000004 | RDKit |
| 4.6962 | RDKit | |
| Molar Refractivity | 66.20100000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 212.214015516 g/mol | RDKit |
| Boiling Point | 95-96 °C @ 0.4 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| 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 = 212.38 g/mol; density = 0.850 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H28O.
