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Diglycidyl Hexahydrophthalate
CAS: 5493-45-8 | C14H20O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5493-45-8
Molecular Formula:
C14H20O6
Molecular Mass:
284.31 g/mol
Names and Synonyms:
Diglycidyl Hexahydrophthalate
1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-oxiranylmethyl) ester
1,2-Cyclohexanedicarboxylic acid, bis(2,3-epoxypropyl) ester
1,2-Cyclohexanedicarboxylic acid, bis(oxiranylmethyl) ester
1-Propanol, 2,3-epoxy-, 1,2-cyclohexanedicarboxylate (2:1)
Diglycidyl hexahydrophthalate
Hexahydrophthalic acid diglycidyl ester
Diglycidyl 1,2-cyclohexanedicarboxylate
Bis(2,3-epoxypropyl) 1,2-cyclohexanedicarboxylate
Cyclohexane-1,2-dicarboxylic acid diglycidyl ester
Zhongsi E 58
E 58
Hexahydrophthalic anhydride diglycidyl ether
Identifiers:
SMILES:
O=C(OCC1CO1)C1CCCCC1C(=O)OCC1CO1
InChI:
InChI=1S/C14H20O6/c15-13(19-7-9-5-17-9)11-3-1-2-4-12(11)14(16)20-8-10-6-18-10/h9-12H,1-8H2
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 284.31 g/mol | CAS Common Chemistry |
| 284.308 g/mol | RDKit | |
| 284.12598836 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC1OC1)C2CCCCC2C(=O)OCC3OC3 | CAS Common Chemistry |
| InChI | InChI=1S/C14H20O6/c15-13(19-7-9-5-17-9)11-3-1-2-4-12(11)14(16)20-8-10-6-18-10/h9-12H,1-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=XFUOBHWPTSIEOV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Diglycidyl hexahydrophthalate | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 77.66 Ų | RDKit |
| LogP | 0.6768000000000001 | RDKit |
| Molar Refractivity | 66.84600000000005 | RDKit |
