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Molecule
Neopentyl Glycol Diglycidyl Ether
CAS: 17557-23-2 · C11H20O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 17557-23-2
- Molecular Formula
- C11H20O4
- Molecular Mass
- 216.28 g/mol
Identifiers
CAS Registry Number
17557-23-2
SMILES
CC(C)(COCC1CO1)COCC1CO1
InChI Key
KUAUJXBLDYVELT-UHFFFAOYSA-N
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
Names and Synonyms
- Neopentyl Glycol Diglycidyl Ether Synonym
- Oxirane, 2,2′-[(2,2-dimethyl-1,3-propanediyl)bis(oxymethylene)]bis- Synonym
- Propane, 1,3-bis(2,3-epoxypropoxy)-2,2-dimethyl- Synonym
- 2,2′-[(2,2-Dimethyl-1,3-propanediyl)bis(oxymethylene)]bis[oxirane] Synonym
- Neopentyl glycol diglycidyl ether Synonym
- 1,3-Bis(glycidyloxy)-2,2-dimethylpropane Synonym
- 1,3-Bis(2,3-epoxypropoxy)-2,2-dimethylpropane Synonym
- 2,2-Bis(glycidyloxymethyl)propane Synonym
- Diglycidyl neopentyl glycol Synonym
- 2,2′-(((2,2-Dimethylpropane-1,3-diyl)bis(oxy))bis(methylene))bis(oxirane) Synonym
- Neopentyl diglycidyl ether Synonym
- 2-[[2,2-Dimethyl-3-(oxiran-2-ylmethoxy)propoxy]methyl]oxirane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 216.28 g/mol | CAS Common Chemistry |
| 216.27699999999996 g/mol | RDKit | |
| 216.277 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 |
| 43.52 Ų | RDKit | |
| LogP | 0.8433999999999999 | RDKit |
| 0.8434 | RDKit | |
| Molar Refractivity | 54.89900000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 216.13615912 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| 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.
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MW = 216.28 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H20O4.
