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Molecule
Camphorquinone
CAS: 465-29-2 · C10H14O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 465-29-2
- Molecular Formula
- C10H14O2
- Molecular Mass
- 166.22 g/mol
Identifiers
CAS Registry Number
465-29-2
SMILES
CC12CCC(C(=O)C1=O)C2(C)C
InChI Key
VNQXSTWCDUXYEZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5H2,1-3H3
Names and Synonyms
- Camphorquinone Common Name
- Bicyclo[2.2.1]heptane-2,3-dione, 1,7,7-trimethyl- Synonym
- 2,3-Bornanedione, (±)- Synonym
- Bicyclo[2.2.1]heptane-2,3-dione, 1,7,7-trimethyl-, (±)- Synonym
- 1,7,7-Trimethylbicyclo[2.2.1]heptane-2,3-dione Synonym
- (±)-Camphorquinone Synonym
- dl-2,3-Camphanedione Synonym
- dl-Camphorquinone Synonym
- Camphorquinone Synonym
- Camphoquinone Synonym
- Camphoroquinone Synonym
- NSC 285 Synonym
- NSC 402031 Synonym
- DL-Bornane-2,3-dione Synonym
- CQ Synonym
- C 0014 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 166.22 g/mol | CAS Common Chemistry |
| 166.21999999999997 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 | CAS Common Chemistry |
| InChI Key | InChIKey=VNQXSTWCDUXYEZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 198-200 °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 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 166.099379688 g/mol | RDKit |
| Boiling Point | 90 °C @ 20 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 166.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H14O2.
