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Molecule
4,4′-Bis(2,3-Epoxypropoxy)-3,3′,5,5′-Tetramethylbiphenyl
CAS: 85954-11-6 · C22H26O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 85954-11-6
- Molecular Formula
- C22H26O4
- Molecular Mass
- 354.45 g/mol
Identifiers
CAS Registry Number
85954-11-6
SMILES
Cc1cc(-c2cc(C)c(OCC3CO3)c(C)c2)cc(C)c1OCC1CO1
InChI Key
HRSLYNJTMYIRHM-UHFFFAOYSA-N
InChI
InChI=1S/C22H26O4/c1-13-5-17(6-14(2)21(13)25-11-19-9-23-19)18-7-15(3)22(16(4)8-18)26-12-20-10-24-20/h5-8,19-20H,9-12H2,1-4H3
Names and Synonyms
- 4,4′-Bis(2,3-Epoxypropoxy)-3,3′,5,5′-Tetramethylbiphenyl Systematic Name
- Oxirane, 2,2′-[(3,3′,5,5′-tetramethyl[1,1′-biphenyl]-4,4′-diyl)bis(oxymethylene)]bis- Synonym
- 2,2′-[(3,3′,5,5′-Tetramethyl[1,1′-biphenyl]-4,4′-diyl)bis(oxymethylene)]bis[oxirane] Synonym
- 4,4′-Bis(2,3-epoxypropoxy)-3,3′,5,5′-tetramethylbiphenyl Synonym
- 3,3′,5,5′-Tetramethylbiphenol diglycidyl ether Synonym
- 4,4′-Bis(glycidyloxy)-3,3′,5,5′-tetramethylbiphenyl Synonym
- 3,3′,5,5′-Tetramethylbiphenyl diglycidyl ether Synonym
- 3,3′,5,5′-Tetramethyl-4,4′-diphenol diglycidyl ether Synonym
- Tetramethylbiphenyl diglycidyl ether Synonym
- 3,3′,5,5′-Tetramethyl-4,4′-glycidoxybiphenyl Synonym
- 4,4′-Dihydroxy-3,3′,5,5′-tetramethylbiphenyl diglycidyl ether Synonym
- 3,3′,5,5′-Tetramethylbiphenyl 4,4′-diglycidyl ether Synonym
- 3,3′,5,5′-Tetramethyl-4,4′-biphenol diglycidyl ether Synonym
- YX 4000HK monomer Synonym
- 3,3′,5,5′-Tetramethyl-4,4′-dihydroxybiphenyl diglycidyl ether Synonym
- 2-[[4-[3,5-Dimethyl-4-(oxiran-2-ylmethoxy)phenyl]-2,6-dimethylphenoxy]methyl]oxirane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 354.45 g/mol | CAS Common Chemistry |
| 354.44600000000014 g/mol | RDKit | |
| 354.446 g/mol | RDKit | |
| Canonical SMILES | O(C=1C(=CC(=CC1C)C=2C=C(C(OCC3OC3)=C(C2)C)C)C)CC4OC4 | CAS Common Chemistry |
| InChI | InChI=1S/C22H26O4/c1-13-5-17(6-14(2)21(13)25-11-19-9-23-19)18-7-15(3)22(16(4)8-18)26-12-20-10-24-20/h5-8,19-20H,9-12H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HRSLYNJTMYIRHM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 105 °C | CAS Common Chemistry |
| Name | 4,4′-Bis(2,3-epoxypropoxy)-3,3′,5,5′-tetramethylbiphenyl | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 43.519999999999996 Ų | RDKit |
| 43.52 Ų | RDKit | |
| LogP | 4.142480000000003 | RDKit |
| 4.1425 | RDKit | |
| 4.54 | chempirical lib | |
| Molar Refractivity | 101.29600000000005 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4545 | RDKit |
| 0.45 | chempirical lib | |
| Exact Mass | 354.18310931199994 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 = 354.45 g/mol. Edit any field — others recompute live.
