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Molecule
(+)-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
Identifiers
CAS Registry Number
2767-84-2
SMILES
CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=O
InChI Key
VNQXSTWCDUXYEZ-QUBYGPBYSA-N
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
Names and Synonyms
- (+)-Camphorquinone Common Name
- Bicyclo[2.2.1]heptane-2,3-dione, 1,7,7-trimethyl-, (1S,4R)- Synonym
- 2,3-Bornanedione, (1S,4R)-(+)- Synonym
- Bicyclo[2.2.1]heptane-2,3-dione, 1,7,7-trimethyl-, (1S)- Synonym
- (1S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptane-2,3-dione Synonym
- d-Camphorquinone Synonym
- (+)-Camphorquinone Synonym
- D(+)-Camphorquinone Synonym
- (1S)-(+)-Camphorquinone Synonym
- (1S)-Camphorquinone Synonym
- (+)-(1S)-Camphorquinone Synonym
- (1S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2,3-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 166.22 g/mol | CAS Common Chemistry |
| 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 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 166.099379688 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 166.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H14O2.
