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Butanediol Divinyl Ether
CAS: 3891-33-6 | C8H14O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3891-33-6
Molecular Formula:
C8H14O2
Molecular Weight:
142.19799999999998 g/mol
Names and Synonyms:
Butanediol Divinyl Ether
Butane, 1,4-bis(ethenyloxy)-
Butane, 1,4-bis(vinyloxy)-
1,4-Bis(ethenyloxy)butane
Butanediol divinyl ether
1,4-Divinyloxybutane
1,4-Bis(vinyloxy)butane
1,4-Butanediol divinyl ether
Rapi-Cure BDVE
NSC 43556
Rapi-Cure DVB 1D
DVB 1D
Butylene glycol divinyl ether
1,4-Butandiol divinyl ether
1,4-Butylene glycol vinyl diether
1,4-Butylene glycol divinyl ether
Identifiers:
SMILES:
C=COCCCCOC=C
InChI:
InChI=1S/C8H14O2/c1-3-9-7-5-6-8-10-4-2/h3-4H,1-2,5-8H2
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 |
|---|
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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 142.19799999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 142.099379688 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 7 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 18.46 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.0868 | RDKit |
| molecular_mass | 142.20 g/mol | Legacy Database |
| density | 0.90 g/cm³ | Legacy Database |
| cas-boiling-point | 75 °C @ Press: 25 Torr None | Legacy Database |
| cas-canonical-smile | O(C=C)CCCCOC=C None | Legacy Database |
| cas-density | 0.8985 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C8H14O2/c1-3-9-7-5-6-8-10-4-2/h3-4H,1-2,5-8H2 None | Legacy Database |
| cas-inchi-key | InChIKey=MWZJGRDWJVHRDV-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Butanediol divinyl ether None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 41.53200000000002 | RDKit |
