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Molecule
2,4-Diphenyl-4-Methyl-1-Pentene
CAS: 6362-80-7 · C18H20
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6362-80-7
- Molecular Formula
- C18H20
- Molecular Mass
- 236.36 g/mol
Identifiers
CAS Registry Number
6362-80-7
SMILES
C=C(CC(C)(C)c1ccccc1)c1ccccc1
InChI Key
ZOKCNEIWFQCSCM-UHFFFAOYSA-N
InChI
InChI=1S/C18H20/c1-15(16-10-6-4-7-11-16)14-18(2,3)17-12-8-5-9-13-17/h4-13H,1,14H2,2-3H3
Names and Synonyms
- 2,4-Diphenyl-4-Methyl-1-Pentene Systematic Name
- DK 80 Synonym
- DK 81 Synonym
- DK 86 Synonym
- Benzene, 1,1′-(1,1-dimethyl-3-methylene-1,3-propanediyl)bis- Synonym
- 1-Pentene, 4-methyl-2,4-diphenyl- Synonym
- 1,1′-(1,1-Dimethyl-3-methylene-1,3-propanediyl)bis[benzene] Synonym
- 4-Methyl-2,4-diphenyl-1-pentene Synonym
- 2,4-Diphenyl-4-methyl-1-pentene Synonym
- α-(2-Methyl-2-phenylpropyl)styrene Synonym
- Nofmer MSD Synonym
- 4,4-Dimethyl-2,4-diphenyl-1-butene Synonym
- (2-Methyl-4-phenylpent-4-en-2-yl)benzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 236.36 g/mol | CAS Common Chemistry |
| 236.358 g/mol | RDKit | |
| Density | 0.98 g/cm³ | CAS Common Chemistry |
| 0.9752 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 75-82 °C @ Press: 1 x 10-4 Torr | CAS Common Chemistry |
| Canonical SMILES | C=C(C=1C=CC=CC1)CC(C=2C=CC=CC2)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C18H20/c1-15(16-10-6-4-7-11-16)14-18(2,3)17-12-8-5-9-13-17/h4-13H,1,14H2,2-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZOKCNEIWFQCSCM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,4-Diphenyl-4-methyl-1-pentene | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.067700000000004 | RDKit |
| 5.0677 | RDKit | |
| Molar Refractivity | 79.56100000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 236.15650064 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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20
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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.
External Resources
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MW = 236.36 g/mol; density = 0.980 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H20.
