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Molecule
4-Hydroxybutyl Vinyl Ether
CAS: 17832-28-9 · C6H12O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 17832-28-9
- Molecular Formula
- C6H12O2
- Molecular Mass
- 116.16 g/mol
Identifiers
CAS Registry Number
17832-28-9
SMILES
C=COCCCCO
InChI Key
HMBNQNDUEFFFNZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O2/c1-2-8-6-4-3-5-7/h2,7H,1,3-6H2
Names and Synonyms
- 4-Hydroxybutyl Vinyl Ether Synonym
- 1-Butanol, 4-(ethenyloxy)- Synonym
- 1-Butanol, 4-(vinyloxy)- Synonym
- 4-(Ethenyloxy)-1-butanol Synonym
- 4-Hydroxybutyl vinyl ether Synonym
- 4-(Vinyloxy)-1-butanol Synonym
- 1,4-Butanediol monovinyl ether Synonym
- Rapi-Cure HBVE Synonym
- Tetramethylene glycol monovinyl ether Synonym
- 4-(Vinyloxy)butanol Synonym
- HBVE Synonym
- NECO 100 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 116.16 g/mol | CAS Common Chemistry |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.9448 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | OCCCCOC=C | CAS Common Chemistry |
| InChI | InChI=1S/C6H12O2/c1-2-8-6-4-3-5-7/h2,7H,1,3-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HMBNQNDUEFFFNZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Hydroxybutyl vinyl ether | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 0.9189999999999998 | RDKit |
| 0.919 | RDKit | |
| Molar Refractivity | 32.46879999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 116.083729624 g/mol | RDKit |
| Boiling Point | 83-85 °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 = 116.16 g/mol; density = 0.940 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H12O2.
