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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
Names and Synonyms:
4,4′-Bis(2,3-Epoxypropoxy)-3,3′,5,5′-Tetramethylbiphenyl
Oxirane, 2,2′-[(3,3′,5,5′-tetramethyl[1,1′-biphenyl]-4,4′-diyl)bis(oxymethylene)]bis-
2,2′-[(3,3′,5,5′-Tetramethyl[1,1′-biphenyl]-4,4′-diyl)bis(oxymethylene)]bis[oxirane]
4,4′-Bis(2,3-epoxypropoxy)-3,3′,5,5′-tetramethylbiphenyl
3,3′,5,5′-Tetramethylbiphenol diglycidyl ether
4,4′-Bis(glycidyloxy)-3,3′,5,5′-tetramethylbiphenyl
3,3′,5,5′-Tetramethylbiphenyl diglycidyl ether
3,3′,5,5′-Tetramethyl-4,4′-diphenol diglycidyl ether
Tetramethylbiphenyl diglycidyl ether
3,3′,5,5′-Tetramethyl-4,4′-glycidoxybiphenyl
4,4′-Dihydroxy-3,3′,5,5′-tetramethylbiphenyl diglycidyl ether
3,3′,5,5′-Tetramethylbiphenyl 4,4′-diglycidyl ether
3,3′,5,5′-Tetramethyl-4,4′-biphenol diglycidyl ether
YX 4000HK monomer
3,3′,5,5′-Tetramethyl-4,4′-dihydroxybiphenyl diglycidyl ether
2-[[4-[3,5-Dimethyl-4-(oxiran-2-ylmethoxy)phenyl]-2,6-dimethylphenoxy]methyl]oxirane
Identifiers:
SMILES:
Cc1cc(-c2cc(C)c(OCC3CO3)c(C)c2)cc(C)c1OCC1CO1
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
Key Properties
Melting Point
105 °C
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 | 354.45 g/mol | CAS Common Chemistry |
| 354.44600000000014 g/mol | RDKit | |
| 354.18310931199994 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 |
| LogP | 4.142480000000003 | RDKit |
| Molar Refractivity | 101.29600000000005 | RDKit |
