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Di(2-Ethylhexyl)Ether
CAS: 10143-60-9 | C16H34O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10143-60-9
- Molecular Formula
- C16H34O
- Molecular Mass
- 242.45 g/mol
Identifiers
CAS Registry Number
10143-60-9
SMILES
CCCCC(CC)COCC(CC)CCCC
InChI Key
YHCCCMIWRBJYHG-UHFFFAOYSA-N
InChI
InChI=1S/C16H34O/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3
Names and Synonyms
- Di(2-Ethylhexyl)Ether Common Name
- Heptane, 3,3′-[oxybis(methylene)]bis- Synonym
- Ether, bis(2-ethylhexyl) Synonym
- 3,3′-[Oxybis(methylene)]bis[heptane] Synonym
- Di(2-ethylhexyl)ether Synonym
- Ethylhexyl oxide Synonym
- Bis(2-ethylhexyl) ether Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 242.45 g/mol | CAS Common Chemistry |
| 242.44699999999992 g/mol | RDKit | |
| 242.447 g/mol | RDKit | |
| Boiling Point | 269.4 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC(CC)CCCC)CC(CC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H34O/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YHCCCMIWRBJYHG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Di(2-ethylhexyl)ether | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 5.435800000000006 | RDKit |
| 5.4358 | RDKit | |
| Molar Refractivity | 77.43100000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 242.26096570800001 g/mol | RDKit |
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
Related
Related molecules
Other compounds with formula C16H34O.
