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Molecule
Butanediol Divinyl Ether
CAS: 3891-33-6 · C8H14O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3891-33-6
- Molecular Formula
- C8H14O2
- Molecular Mass
- 142.20 g/mol
Identifiers
CAS Registry Number
3891-33-6
SMILES
C=COCCCCOC=C
InChI Key
MWZJGRDWJVHRDV-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O2/c1-3-9-7-5-6-8-10-4-2/h3-4H,1-2,5-8H2
Names and Synonyms
- Butanediol Divinyl Ether Synonym
- Butane, 1,4-bis(ethenyloxy)- Synonym
- Butane, 1,4-bis(vinyloxy)- Synonym
- 1,4-Bis(ethenyloxy)butane Synonym
- Butanediol divinyl ether Synonym
- 1,4-Divinyloxybutane Synonym
- 1,4-Bis(vinyloxy)butane Synonym
- 1,4-Butanediol divinyl ether Synonym
- Rapi-Cure BDVE Synonym
- NSC 43556 Synonym
- Rapi-Cure DVB 1D Synonym
- DVB 1D Synonym
- Butylene glycol divinyl ether Synonym
- 1,4-Butandiol divinyl ether Synonym
- 1,4-Butylene glycol vinyl diether Synonym
- 1,4-Butylene glycol divinyl ether Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 142.20 g/mol | CAS Common Chemistry |
| 142.19799999999998 g/mol | RDKit | |
| 142.198 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.8985 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O(C=C)CCCCOC=C | CAS Common Chemistry |
| InChI | InChI=1S/C8H14O2/c1-3-9-7-5-6-8-10-4-2/h3-4H,1-2,5-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MWZJGRDWJVHRDV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Butanediol divinyl ether | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 2.0868 | RDKit |
| 2.07 | chempirical lib | |
| Molar Refractivity | 41.53200000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 142.099379688 g/mol | RDKit |
| Boiling Point | 75 °C @ 25 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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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Quick conversion
MW = 142.20 g/mol; density = 0.900 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H14O2.
