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Molecule
2-Ethylhexyl Vinyl Ether
CAS: 103-44-6 · C10H20O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 103-44-6
- Molecular Formula
- C10H20O
- Molecular Mass
- 156.27 g/mol
Identifiers
CAS Registry Number
103-44-6
SMILES
C=COCC(CC)CCCC
InChI Key
DSSAWHFZNWVJEC-UHFFFAOYSA-N
InChI
InChI=1S/C10H20O/c1-4-7-8-10(5-2)9-11-6-3/h6,10H,3-5,7-9H2,1-2H3
Names and Synonyms
- 2-Ethylhexyl Vinyl Ether Synonym
- Heptane, 3-[(ethenyloxy)methyl]- Synonym
- Ether, 2-ethylhexyl vinyl Synonym
- 3-[(Ethenyloxy)methyl]heptane Synonym
- 1-Ethenoxy-2-ethylhexane Synonym
- 2-Ethylhexyl vinyl ether Synonym
- Vinyl 2-ethylhexyl ether Synonym
- NSC 24170 Synonym
- Rapi-Cure EHVE Synonym
- Ethyl hexyl vinyl ether Synonym
- 1-(Ethenyloxy)-2-ethylhexane 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 | |
| Canonical SMILES | O(C=C)CC(CC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H20O/c1-4-7-8-10(5-2)9-11-6-3/h6,10H,3-5,7-9H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DSSAWHFZNWVJEC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -100 °C | CAS Common Chemistry |
| Name | 2-Ethylhexyl vinyl ether | 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 | 9.23 Ų | RDKit |
| LogP | 3.3629000000000024 | RDKit |
| 3.3629 | RDKit | |
| 3.5 | chempirical lib | |
| Molar Refractivity | 49.455000000000034 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 156.15141526 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H20O.
