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Neopentyl Glycol Diglycidyl Ether
CAS: 17557-23-2 | C11H20O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17557-23-2
Molecular Formula:
C11H20O4
Molecular Mass:
216.28 g/mol
Names and Synonyms:
Neopentyl Glycol Diglycidyl Ether
Oxirane, 2,2′-[(2,2-dimethyl-1,3-propanediyl)bis(oxymethylene)]bis-
Propane, 1,3-bis(2,3-epoxypropoxy)-2,2-dimethyl-
2,2′-[(2,2-Dimethyl-1,3-propanediyl)bis(oxymethylene)]bis[oxirane]
Neopentyl glycol diglycidyl ether
1,3-Bis(glycidyloxy)-2,2-dimethylpropane
1,3-Bis(2,3-epoxypropoxy)-2,2-dimethylpropane
2,2-Bis(glycidyloxymethyl)propane
Diglycidyl neopentyl glycol
2,2′-(((2,2-Dimethylpropane-1,3-diyl)bis(oxy))bis(methylene))bis(oxirane)
Neopentyl diglycidyl ether
2-[[2,2-Dimethyl-3-(oxiran-2-ylmethoxy)propoxy]methyl]oxirane
Identifiers:
SMILES:
CC(C)(COCC1CO1)COCC1CO1
InChI:
InChI=1S/C11H20O4/c1-11(2,7-12-3-9-5-14-9)8-13-4-10-6-15-10/h9-10H,3-8H2,1-2H3
Key Properties
Density
1.07 g/cm³
CAS Common Chemistry
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 | 216.28 g/mol | CAS Common Chemistry |
| 216.27699999999996 g/mol | RDKit | |
| 216.13615912 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.07 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Neopentyl_glycol_diglycidyl_ether | CAS Common Chemistry |
| Canonical SMILES | O(CC1OC1)CC(C)(C)COCC2OC2 | CAS Common Chemistry |
| InChI | InChI=1S/C11H20O4/c1-11(2,7-12-3-9-5-14-9)8-13-4-10-6-15-10/h9-10H,3-8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KUAUJXBLDYVELT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Neopentyl glycol diglycidyl ether | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.519999999999996 Ų | RDKit |
| LogP | 0.8433999999999999 | RDKit |
| Molar Refractivity | 54.89900000000005 | RDKit |
