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Duroquinone
CAS: 527-17-3 | C10H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
527-17-3
Molecular Formula:
C10H12O2
Molecular Mass:
164.20 g/mol
Names and Synonyms:
Duroquinone
2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetramethyl-
p-Benzoquinone, 2,3,5,6-tetramethyl-
p-Benzoquinone, tetramethyl-, semiquinone
p-Benzoquinone, tetramethyl-
2,3,5,6-Tetramethyl-2,5-cyclohexadiene-1,4-dione
Duroquinone
Tetramethyl-p-benzoquinone
2,3,5,6-Tetramethyl-1,4-benzoquinone
2,3,5,6-Tetramethylbenzoquinone
2,3,5,6-Tetramethyl-p-benzoquinone
Tetramethylquinone
Tetramethyl-1,4-benzoquinone
Tetramethyl-p-quinone
TMQ
Tetramethylbenzoquinone
NSC 2068
Identifiers:
SMILES:
CC1=C(C)C(=O)C(C)=C(C)C1=O
InChI:
InChI=1S/C10H12O2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3
Key Properties
Melting Point
111.5 °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 | 164.20 g/mol | CAS Common Chemistry |
| 164.20399999999998 g/mol | RDKit | |
| 164.083729624 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Duroquinone | CAS Common Chemistry |
| Canonical SMILES | O=C1C(=C(C(=O)C(=C1C)C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H12O2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WAMKWBHYPYBEJY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 111.5 °C | CAS Common Chemistry |
| Name | Duroquinone | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 34.14 Ų | RDKit |
| LogP | 1.811 | RDKit |
| Molar Refractivity | 46.76200000000002 | RDKit |
