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2,6-Diisopropylnaphthalene
CAS: 24157-81-1 | C16H20
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
24157-81-1
Molecular Formula:
C16H20
Molecular Mass:
212.34 g/mol
Names and Synonyms:
2,6-Diisopropylnaphthalene
Naphthalene, 2,6-bis(1-methylethyl)-
Naphthalene, 2,6-diisopropyl-
2,6-Bis(1-methylethyl)naphthalene
2,6-Diisopropylnaphthalene
NSC 166467
2,6-Di(propan-2-yl)naphthalene
Identifiers:
SMILES:
CC(C)c1ccc2cc(C(C)C)ccc2c1
InChI:
InChI=1S/C16H20/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13/h5-12H,1-4H3
Key Properties
Melting Point
66.8 °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 | 212.34 g/mol | CAS Common Chemistry |
| 212.33599999999998 g/mol | RDKit | |
| 212.15650064 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2,6-Diisopropylnaphthalene | CAS Common Chemistry |
| Canonical SMILES | C=1C=C(C=C2C=CC(=CC12)C(C)C)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C16H20/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13/h5-12H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GWLLTEXUIOFAFE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 66.8 °C | CAS Common Chemistry |
| Name | 2,6-Diisopropylnaphthalene | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.086600000000004 | RDKit |
| Molar Refractivity | 72.12600000000005 | RDKit |
