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1,2-Epoxydecane
CAS: 2404-44-6 | C10H20O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2404-44-6
Molecular Formula:
C10H20O
Molecular Mass:
156.27 g/mol
Names and Synonyms:
1,2-Epoxydecane
Oxirane, 2-octyl-
Decane, 1,2-epoxy-
Oxirane, octyl-
2-Octyloxirane
1,2-Decene epoxide
1,2-Decylene oxide
Octyloxirane
1-Decene oxide
1-Decene epoxide
Vikolox 10
1,2-Decene oxide
1,2-Epoxydecane
NSC 16197
Octylepoxyethane
Identifiers:
SMILES:
CCCCCCCCC1CO1
InChI:
InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-10-9-11-10/h10H,2-9H2,1H3
Key Properties
Boiling Point
94 °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 | 156.27 g/mol | CAS Common Chemistry |
| 156.26899999999998 g/mol | RDKit | |
| 156.15141526 g/mol | RDKit | |
| Density | 0.84 g/cm³ | CAS Common Chemistry |
| 0.8401 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 94 °C @ Press: 15 Torr | CAS Common Chemistry |
| Canonical SMILES | O1CC1CCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-10-9-11-10/h10H,2-9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AAMHBRRZYSORSH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,2-Epoxydecane | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.53 Ų | RDKit |
| LogP | 3.1358000000000015 | RDKit |
| Molar Refractivity | 47.733000000000025 | RDKit |
