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Dipentaerythritol Pentaacrylate
CAS: 60506-81-2 | C25H32O12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
60506-81-2
Molecular Formula:
C25H32O12
Molecular Mass:
524.52 g/mol
Names and Synonyms:
Dipentaerythritol Pentaacrylate
2-Propenoic acid, 1,1′-[2-[[3-hydroxy-2,2-bis[[(1-oxo-2-propen-1-yl)oxy]methyl]propoxy]methyl]-2-[[(1-oxo-2-propen-1-yl)oxy]methyl]-1,3-propanediyl] ester
2-Propenoic acid, 2-[[3-hydroxy-2,2-bis[[(1-oxo-2-propenyl)oxy]methyl]propoxy]methyl]-2-[[(1-oxo-2-propenyl)oxy]methyl]-1,3-propanediyl ester
Dipentaerythritol pentaacrylate
SR 399
DPHPA
Chemlink 9041
Sartomer 399
SR 9041
Sartomer 9041
SR 399E
SR 399D
Sartomer SR 399
NK Ester A 9530
DPEPA
A 9530
Sartomer SR 399E
SR 399LV
Saret 399
Dipentaerythritol monohydroxypentaacrylate
Sartomer SR 399LV
Miramer M 500
SR 399J
ODPE 003
A 9570W
SR 399R
Sartomer SR 399R
NK Ester A 9570W
Sartomer 399LV
SR 399NS
Neomar DA-600
SR 399LVNS
Miramer M 510
M 510
Di(trimethylolpropane) pentaacrylate
Identifiers:
SMILES:
C=CC(=O)OCC(CO)(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)COC(=O)C=C
InChI:
InChI=1S/C25H32O12/c1-6-19(27)33-14-24(11-26,15-34-20(28)7-2)12-32-13-25(16-35-21(29)8-3,17-36-22(30)9-4)18-37-23(31)10-5/h6-10,26H,1-5,11-18H2
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 524.52 g/mol | CAS Common Chemistry |
| 524.5190000000003 g/mol | RDKit | |
| 524.1893764639999 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(CO)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C25H32O12/c1-6-19(27)33-14-24(11-26,15-34-20(28)7-2)12-32-13-25(16-35-21(29)8-3,17-36-22(30)9-4)18-37-23(31)10-5/h6-10,26H,1-5,11-18H2 | CAS Common Chemistry |
| InChI Key | InChIKey=INXWLSDYDXPENO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dipentaerythritol pentaacrylate | CAS Common Chemistry |
| Heavy Atom Count | 37 | RDKit |
| Hydrogen Bond Acceptors | 12 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 20 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 160.96 Ų | RDKit |
| LogP | 0.614100000000001 | RDKit |
| Molar Refractivity | 128.55080000000007 | RDKit |
