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Molecule
1,2-Epoxydecane
CAS: 2404-44-6 · C10H20O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2404-44-6
- Molecular Formula
- C10H20O
- Molecular Mass
- 156.27 g/mol
Identifiers
CAS Registry Number
2404-44-6
SMILES
CCCCCCCCC1CO1
InChI Key
AAMHBRRZYSORSH-UHFFFAOYSA-N
InChI
InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-10-9-11-10/h10H,2-9H2,1H3
Names and Synonyms
- 1,2-Epoxydecane Synonym
- Oxirane, 2-octyl- Synonym
- Decane, 1,2-epoxy- Synonym
- Oxirane, octyl- Synonym
- 2-Octyloxirane Synonym
- 1,2-Decene epoxide Synonym
- 1,2-Decylene oxide Synonym
- Octyloxirane Synonym
- 1-Decene oxide Synonym
- 1-Decene epoxide Synonym
- Vikolox 10 Synonym
- 1,2-Decene oxide Synonym
- 1,2-Epoxydecane Synonym
- NSC 16197 Synonym
- Octylepoxyethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 156.27 g/mol | CAS Common Chemistry |
| 156.26899999999998 g/mol | RDKit | |
| 156.269 g/mol | RDKit | |
| Density | 0.84 g/cm³ | CAS Common Chemistry |
| 0.8401 g/cm3 @ 20 °C | 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 |
| 3.1358 | RDKit | |
| Molar Refractivity | 47.733000000000025 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 156.15141526 g/mol | RDKit |
| Boiling Point | 94 °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
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MW = 156.27 g/mol; density = 0.840 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H20O.
