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1,3-Butyleneglycol Dimethacrylate
CAS: 1189-08-8 | C12H18O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1189-08-8
- Molecular Formula
- C12H18O4
- Molecular Mass
- 226.27 g/mol
Identifiers
CAS Registry Number
1189-08-8
SMILES
C=C(C)C(=O)OCCC(C)OC(=O)C(=C)C
InChI Key
VDYWHVQKENANGY-UHFFFAOYSA-N
InChI
InChI=1S/C12H18O4/c1-8(2)11(13)15-7-6-10(5)16-12(14)9(3)4/h10H,1,3,6-7H2,2,4-5H3
Names and Synonyms
- 1,3-Butyleneglycol Dimethacrylate Synonym
- 2-Propenoic acid, 2-methyl-, 1,1′-(1-methyl-1,3-propanediyl) ester Synonym
- Methacrylic acid, 1-methyltrimethylene ester Synonym
- 2-Propenoic acid, 2-methyl-, 1-methyl-1,3-propanediyl ester Synonym
- 1,3-Butanediol, dimethacrylate Synonym
- 1,3-Butyleneglycol dimethacrylate Synonym
- 1,3-Butylene dimethacrylate Synonym
- SR 297 Synonym
- 1-Methyltrimethylene methacrylate Synonym
- 1,3-Butanediyl dimethacrylate Synonym
- X 970 Synonym
- NK Ester BG Synonym
- Rocryl X 970 Synonym
- Rocryl 970 Synonym
- BGDMA Synonym
- Acryester BD Synonym
- n-Butane-1,3-diyl dimethacrylate Synonym
- SR 297J Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 226.27 g/mol | CAS Common Chemistry |
| 226.27199999999993 g/mol | RDKit | |
| 226.272 g/mol | RDKit | |
| Canonical SMILES | O=C(OCCC(OC(=O)C(=C)C)C)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H18O4/c1-8(2)11(13)15-7-6-10(5)16-12(14)9(3)4/h10H,1,3,6-7H2,2,4-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VDYWHVQKENANGY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,3-Butyleneglycol dimethacrylate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.6 Ų | RDKit |
| LogP | 2.0036 | RDKit |
| Molar Refractivity | 60.75800000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 226.120509056 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
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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.
External Resources
Related
Related molecules
Other compounds with formula C12H18O4.
