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4-Hydroxybutyl Vinyl Ether
CAS: 17832-28-9 | C6H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17832-28-9
Molecular Formula:
C6H12O2
Molecular Weight:
116.16 g/mol
Names and Synonyms:
4-Hydroxybutyl Vinyl Ether
1-Butanol, 4-(ethenyloxy)-
1-Butanol, 4-(vinyloxy)-
4-(Ethenyloxy)-1-butanol
4-Hydroxybutyl vinyl ether
4-(Vinyloxy)-1-butanol
1,4-Butanediol monovinyl ether
Rapi-Cure HBVE
Tetramethylene glycol monovinyl ether
4-(Vinyloxy)butanol
HBVE
NECO 100
Identifiers:
SMILES:
C=COCCCCO
InChI:
InChI=1S/C6H12O2/c1-2-8-6-4-3-5-7/h2,7H,1,3-6H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
80
60
40
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.
All Properties
Comprehensive physical and chemical properties
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 116.16 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 116.083729624 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 8 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 2 count | RDKit |
Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 5 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 0 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 29.46 Ų | RDKit |
Physical Properties
Property | Value | Source |
---|---|---|
LogP | 0.9189999999999998 | RDKit |
molecular_mass | 116.16 g/mol | Legacy Database |
density | 0.94 g/cm³ | Legacy Database |
cas-boiling-point | 83-85 °C @ Press: 15 Torr None | Legacy Database |
cas-canonical-smile | OCCCCOC=C None | Legacy Database |
cas-density | 0.9448 g/cm3 @ Temp: 20 °C None | Legacy Database |
cas-inchi | InChI=1S/C6H12O2/c1-2-8-6-4-3-5-7/h2,7H,1,3-6H2 None | Legacy Database |
cas-inchi-key | InChIKey=HMBNQNDUEFFFNZ-UHFFFAOYSA-N None | Legacy Database |
cas-name | 4-Hydroxybutyl vinyl ether None | Legacy Database |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 32.46879999999999 | RDKit |