Back to Search
Molecule
Trimethylolpropane Formal Acrylate
CAS: 66492-51-1 · C10H16O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 66492-51-1
- Molecular Formula
- C10H16O4
- Molecular Mass
- 200.23 g/mol
Identifiers
CAS Registry Number
66492-51-1
SMILES
C=CC(=O)OCC1(CC)COCOC1
InChI Key
STGXUBIZGYMIRM-UHFFFAOYSA-N
InChI
InChI=1S/C10H16O4/c1-3-9(11)14-7-10(4-2)5-12-8-13-6-10/h3H,1,4-8H2,2H3
Names and Synonyms
- Trimethylolpropane Formal Acrylate Synonym
- 2-Propenoic acid, (5-ethyl-1,3-dioxan-5-yl)methyl ester Synonym
- 5-Ethyl-5-(hydroxymethyl)-1,3-dioxane acrylate Synonym
- (5-Ethyl-1,3-dioxan-5-yl)methyl acrylate Synonym
- 5-Acryloxymethyl-5-ethyl-1,3-dioxacyclohexane Synonym
- Trimethylolpropane formal acrylate Synonym
- Laromer LR 8887 Synonym
- Laromer 8887 Synonym
- SR 531 Synonym
- Sartomer 531 Synonym
- EM 212 Synonym
- Cyclic trimethylolpropane formal acrylate Synonym
- Viscoat 200 Synonym
- Trimethylolpropane cyclic formal acrylate Synonym
- Cyclotrimethylolpropaneformyl acrylate Synonym
- (5-Ethyl-1,3-dioxan-5-yl)methyl prop-2-enoate Synonym
- SR 531NS Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 200.23 g/mol | CAS Common Chemistry |
| 200.23399999999995 g/mol | RDKit | |
| 200.234 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC1(COCOC1)CC)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C10H16O4/c1-3-9(11)14-7-10(4-2)5-12-8-13-6-10/h3H,1,4-8H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=STGXUBIZGYMIRM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Trimethylolpropane formal acrylate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.760000000000005 Ų | RDKit |
| 44.76 Ų | RDKit | |
| LogP | 1.1162999999999998 | RDKit |
| 1.1163 | RDKit | |
| Molar Refractivity | 50.65100000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7 | RDKit |
| Exact Mass | 200.104858992 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 = 200.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H16O4.
Dimethyl 1,4-Cyclohexanedicarboxylate
CAS 94-60-0
Diethyl Allylmalonate
CAS 2049-80-1
1,4-Dipropyl (2Z)-2-Butenedioate
CAS 2432-63-5
Hexanoic acid, 4-acetyl-5-oxo-, ethyl ester
CAS 2832-10-2
1,4-Dimethyl Trans-1,4-Cyclohexanedicarboxylate
CAS 3399-22-2
Diethyl 1,1-Cyclobutanedicarboxylate
CAS 3779-29-1
