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Molecule
Pentaerythritol Tetraglycidyl Ether
CAS: 3126-63-4 · C17H28O8
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3126-63-4
- Molecular Formula
- C17H28O8
- Molecular Mass
- 360.40 g/mol
Identifiers
CAS Registry Number
3126-63-4
SMILES
C(OCC(COCC1CO1)(COCC1CO1)COCC1CO1)C1CO1
InChI Key
PLDLPVSQYMQDBL-UHFFFAOYSA-N
InChI
InChI=1S/C17H28O8/c1(13-5-22-13)18-9-17(10-19-2-14-6-23-14,11-20-3-15-7-24-15)12-21-4-16-8-25-16/h13-16H,1-12H2
Names and Synonyms
- Pentaerythritol Tetraglycidyl Ether Synonym
- Oxirane, 2,2′-[[2,2-bis[(2-oxiranylmethoxy)methyl]-1,3-propanediyl]bis(oxymethylene)]bis- Synonym
- Propane, 1,3-bis(2,3-epoxypropoxy)-2,2-bis[(2,3-epoxypropoxy)methyl]- Synonym
- Oxirane, 2,2′-[[2,2-bis[(oxiranylmethoxy)methyl]-1,3-propanediyl]bis(oxymethylene)]bis- Synonym
- 2,2′-[[2,2-Bis[(2-oxiranylmethoxy)methyl]-1,3-propanediyl]bis(oxymethylene)]bis[oxirane] Synonym
- Pentaerythritol glycidyl ether Synonym
- Pentaerythritol tetraglycidyl ether Synonym
- 1,1,1,1-Tetra(glycidyloxymethyl)methane Synonym
- 1,3-Bis(2,3-epoxypropoxy)-2,2-bis[(2,3-epoxypropoxy)methyl]propane Synonym
- 2-[[3-(Oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propoxy]methyl]oxirane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 360.40 g/mol | CAS Common Chemistry |
| 360.40300000000013 g/mol | RDKit | |
| 360.403 g/mol | RDKit | |
| Canonical SMILES | O(CC1OC1)CC(COCC2OC2)(COCC3OC3)COCC4OC4 | CAS Common Chemistry |
| InChI | InChI=1S/C17H28O8/c1(13-5-22-13)18-9-17(10-19-2-14-6-23-14,11-20-3-15-7-24-15)12-21-4-16-8-25-16/h13-16H,1-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PLDLPVSQYMQDBL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pentaerythritol tetraglycidyl ether | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 87.04 Ų | RDKit |
| LogP | -0.3655999999999966 | RDKit |
| -0.3656 | RDKit | |
| Molar Refractivity | 84.66900000000007 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 360.17841785599995 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 |
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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 = 360.40 g/mol. Edit any field — others recompute live.
