Back to Search
Molecule
Butyl Vinyl Ether
CAS: 111-34-2 · C6H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 111-34-2
- Molecular Formula
- C6H12O
- Molecular Mass
- 100.16 g/mol
Identifiers
CAS Registry Number
111-34-2
SMILES
C=COCCCC
InChI Key
UZKWTJUDCOPSNM-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O/c1-3-5-6-7-4-2/h4H,2-3,5-6H2,1H3
Names and Synonyms
- Butyl Vinyl Ether Common Name
- Butane, 1-(ethenyloxy)- Synonym
- Ether, butyl vinyl Synonym
- 1-(Ethenyloxy)butane Synonym
- n-Butyl vinyl ether Synonym
- BVE Synonym
- Vinyl n-butyl ether Synonym
- Vinyl butyl ether Synonym
- Butoxyethene Synonym
- Butoxyethylene Synonym
- 1-Butoxyethene Synonym
- Butyl vinyl ether Synonym
- 1-(Vinyloxy)butane Synonym
- NSC 8264 Synonym
- NBVE Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 100.16 g/mol | CAS Common Chemistry |
| 100.161 g/mol | RDKit | |
| Density | 0.79 g/cm³ | CAS Common Chemistry |
| 0.7888 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 94 °C | CAS Common Chemistry |
| Canonical SMILES | O(C=C)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H12O/c1-3-5-6-7-4-2/h4H,2-3,5-6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UZKWTJUDCOPSNM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -92 °C | CAS Common Chemistry |
| Name | Butyl vinyl ether | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 1.9465999999999999 | RDKit |
| 1.9466 | RDKit | |
| 1.94 | chempirical lib | |
| Molar Refractivity | 31.056999999999984 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 100.088815004 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
Convert
Quick conversion
MW = 100.16 g/mol; density = 0.790 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H12O.
