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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
Names and Synonyms:
1,2-Epoxydodecane
Oxirane, 2-decyl-
Dodecane, 1,2-epoxy-
Oxirane, decyl-
2-Decyloxirane
1,2-Dodecene oxide
1,2-Epoxy-n-dodecane
1,2-Epoxydodecane
Nedox 1200
1-Dodecene oxide
α-Dodecene oxide
Decyloxirane
Vikolox 12
1,2-Dodecylene oxide
1-Dodecene epoxide
(±)-1,2-Epoxydodecane
(±)-Decyloxirane
1,2-Dodecene epoxide
NSC 6785
2-n-Decyloxirane
Dodecylene oxide
Identifiers:
SMILES:
CCCCCCCCCCC1CO1
InChI:
InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-12-11-13-12/h12H,2-11H2,1H3
Key Properties
Boiling Point
124-125 °C @ Press: 15 Torr
CAS Common Chemistry
Density
0.84 g/cm³
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 | 184.32 g/mol | CAS Common Chemistry |
| 184.32299999999998 g/mol | RDKit | |
| 184.182715388 g/mol | RDKit | |
| Density | 0.84 g/cm³ | CAS Common Chemistry |
| 0.8402 g/cm3 @ Temp: 22 °C | CAS Common Chemistry | |
| Boiling Point | 124-125 °C @ Press: 15 Torr | 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 |
| Molar Refractivity | 56.967000000000056 | RDKit |
