(-)-beta-Thujone structure

(-)-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

CAS: 33766-30-2
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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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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