Back to Search
Molecule
1,2-Epoxydodecane
CAS: 2855-19-8 · C12H24O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2855-19-8
- Molecular Formula
- C12H24O
- Molecular Mass
- 184.32 g/mol
Identifiers
CAS Registry Number
2855-19-8
SMILES
CCCCCCCCCCC1CO1
InChI Key
MPGABYXKKCLIRW-UHFFFAOYSA-N
InChI
InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-12-11-13-12/h12H,2-11H2,1H3
Names and Synonyms
- 1,2-Epoxydodecane Systematic Name
- Oxirane, 2-decyl- Synonym
- Dodecane, 1,2-epoxy- Synonym
- Oxirane, decyl- Synonym
- 2-Decyloxirane Synonym
- 1,2-Dodecene oxide Synonym
- 1,2-Epoxy-n-dodecane Synonym
- 1,2-Epoxydodecane Synonym
- Nedox 1200 Synonym
- 1-Dodecene oxide Synonym
- α-Dodecene oxide Synonym
- Decyloxirane Synonym
- Vikolox 12 Synonym
- 1,2-Dodecylene oxide Synonym
- 1-Dodecene epoxide Synonym
- (±)-1,2-Epoxydodecane Synonym
- (±)-Decyloxirane Synonym
- 1,2-Dodecene epoxide Synonym
- NSC 6785 Synonym
- 2-n-Decyloxirane Synonym
- Dodecylene oxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 184.32 g/mol | CAS Common Chemistry |
| 184.32299999999998 g/mol | RDKit | |
| 184.323 g/mol | RDKit | |
| Density | 0.84 g/cm³ | CAS Common Chemistry |
| 0.8402 g/cm3 @ 22 °C | CAS Common Chemistry | |
| Canonical SMILES | O1CC1CCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-12-11-13-12/h12H,2-11H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MPGABYXKKCLIRW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,2-Epoxydodecane | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.53 Ų | RDKit |
| LogP | 3.916000000000003 | RDKit |
| 3.916 | RDKit | |
| Molar Refractivity | 56.967000000000056 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 184.182715388 g/mol | RDKit |
| Boiling Point | 124-125 °C @ 15 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 184.32 g/mol; density = 0.840 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H24O.
