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Molecule
2,3-Dimethyl-2,3-Diphenylbutane
CAS: 1889-67-4 · C18H22
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1889-67-4
- Molecular Formula
- C18H22
- Molecular Mass
- 238.37 g/mol
Identifiers
CAS Registry Number
1889-67-4
SMILES
CC(C)(c1ccccc1)C(C)(C)c1ccccc1
InChI Key
HGTUJZTUQFXBIH-UHFFFAOYSA-N
InChI
InChI=1S/C18H22/c1-17(2,15-11-7-5-8-12-15)18(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3
Names and Synonyms
- 2,3-Dimethyl-2,3-Diphenylbutane Systematic Name
- Benzene, 1,1′-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis- Synonym
- Bibenzyl, α,α,α′,α′-tetramethyl- Synonym
- 1,1′-(1,1,2,2-Tetramethyl-1,2-ethanediyl)bis[benzene] Synonym
- Dicumene Synonym
- α,α′-Dicumyl Synonym
- 2,3-Dimethyl-2,3-diphenylbutane Synonym
- 2,3-Diphenyl-2,3-dimethylbutane Synonym
- Dicumyl Synonym
- 1,2-Diphenyltetramethylethane Synonym
- Interox CC-DFB Synonym
- α,α,α′,α′-Tetramethylbibenzyl Synonym
- Perkadox 30 Synonym
- Nofmer BC Synonym
- 1,1,2,2-Tetramethyl-1,2-diphenylethane Synonym
- Bicumyl Synonym
- Nofmer BC 90 Synonym
- BC 90 Synonym
- CCDFB 90 Synonym
- NSC 34859 Synonym
- Curox CC-DC Synonym
- (2,3-Dimethylbutane-2,3-diyl)dibenzene Synonym
- (2,3-Dimethyl-3-phenylbutan-2-yl)benzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 238.37 g/mol | CAS Common Chemistry |
| 238.37399999999997 g/mol | RDKit | |
| 238.374 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)C(C)(C)C(C=2C=CC=CC2)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C18H22/c1-17(2,15-11-7-5-8-12-15)18(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HGTUJZTUQFXBIH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 115 °C | CAS Common Chemistry |
| Name | 2,3-Dimethyl-2,3-diphenylbutane | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.942000000000005 | RDKit |
| 4.942 | RDKit | |
| 4.63 | chempirical lib | |
| Molar Refractivity | 78.93600000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 238.172150704 g/mol | RDKit |
| Boiling Point | 162-165 °C @ 14 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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40
20
0 ppm
| 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 = 238.37 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H22.
