(-)-beta-Thujone
(1R,4R,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
Also Known As: (-)-beta-thujone|(-)-Isothujone|trans-thujone|beta-Thujone|Isothujone, (-)-|L-Isothujone||A-Thujone|(-)-cis-Thujone|(-)-Thujone|THUJONE|(-)-3-Thujone|(-)-.BETA.-THUJONE|(1R,4R,5S)-thujan-3-one|(1R,4R,5S)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-one|J1.505.792K|(1R,4R,5S)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one|Bicyclo(3.1.0)hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1R,4R,5S)-|(1R,4R,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one|(1R,4R,5S)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one (1R,4R,5S)-thujan-3-one|(1R,4R,5S)-1-Isopropyl-4-methylbicyclo(3.1.0)hexan-3-one|(1R,4R,5S)-4-methyl-1-(propan-2-yl)bicyclo(3.1.0)hexan-3-one|(1R,4R,5S)-4-methyl-1-propan-2-ylbicyclo(3.1.0)hexan-3-one|(1R,5S)-4alpha-Methyl-1beta-isopropylbicyclo[3.1.0]hexane-3-one|(1S,2R,5R)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-3-one|(1S,4R,5S)-4-methyl-1-propan-2-ylbicyclo(3.1.0)hexan-3-one|(1S,4R,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one|Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1R,4R,5S)-|(1R,4R,5S)-4-methyl-1-(propan-2-yl)bicyclo(3.1.0)hexan-3-one (1R,4R,5S)-thujan-3-one
| Molecular Formula | C10H16O |
|---|---|
| Molecular Weight | 152.12012 g/mol |
| LogP | 2.2576 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.12012 |
| Monoisotopic Mass | 152.12012 |
| Heavy Atoms | 11 |
| Complexity | 206.91832 |
Chemical Identifiers
| CAS Number | 33766-30-2 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2C[C@@]2(CC1=O)C(C)C |
Product Overview
(-)-beta-Thujone (CAS 33766-30-2), with molecular formula C10H16O and molecular weight 152.12012 g/mol. IUPAC: (1R,4R,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one.
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