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(+)-Camphorquinone
CAS: 2767-84-2 | C10H14O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2767-84-2
Molecular Formula:
C10H14O2
Molecular Mass:
166.22 g/mol
Names and Synonyms:
(+)-Camphorquinone
Bicyclo[2.2.1]heptane-2,3-dione, 1,7,7-trimethyl-, (1S,4R)-
2,3-Bornanedione, (1S,4R)-(+)-
Bicyclo[2.2.1]heptane-2,3-dione, 1,7,7-trimethyl-, (1S)-
(1S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptane-2,3-dione
d-Camphorquinone
(+)-Camphorquinone
D(+)-Camphorquinone
(1S)-(+)-Camphorquinone
(1S)-Camphorquinone
(+)-(1S)-Camphorquinone
(1S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2,3-dione
Identifiers:
SMILES:
CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=O
InChI:
InChI=1S/C10H14O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5H2,1-3H3/t6-,10+/m0/s1
Key Properties
Melting Point
200-202 °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 | 166.22 g/mol | CAS Common Chemistry |
| 166.099379688 g/mol | RDKit | |
| Canonical SMILES | O=C1C(=O)C2(C)CCC1C2(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H14O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5H2,1-3H3/t6-,10+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=VNQXSTWCDUXYEZ-QUBYGPBYSA-N | CAS Common Chemistry |
| Melting Point | 200-202 °C | CAS Common Chemistry |
| Name | (+)-Camphorquinone | 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 | 1.5807 | RDKit |
| Molar Refractivity | 44.62600000000002 | RDKit |
