beta-Thujone (C10H16O)

Looking for routes to beta-Thujone? beta-Thujone presents a C10 framework. Use the planner with prefilled SMILES, or copy CC(C)[C@]12CC(=O)[C@@H](C)[C@H]1C2 (CAS 471-15-8).

Target: beta-Thujone
CAS: 471-15-8
Formula: C10H16O
Approx. MW: 152.24
SMILES: CC(C)[C@]12CC(=O)[C@@H](C)[C@H]1C2
PubChem CID: 91456
Approx. carbons: C10

beta-Thujone structure

Properties

IUPAC name: (1S,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
Common names: beta-Thujone; (+)-Isothujone; (+)-Thujone; (+)-3-Thujone; 471-15-8; Isothujone; (+)-beta-Thujone; D-beta-Thujone; (1S,4S,5R)-(+)-3-thujanone; 3-Thujanone, (1S,4S,5R)-(+)-
Molecular weight: 152.23
Exact mass: 152.12
InChIKey: USMNOWBWPHYOEA-XKSSXDPKSA-N

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beta-Thujone 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of beta-Thujone?

beta-Thujone has molecular formula C10H16O. Molecular weight about 152.24 g·mol⁻¹.

What is the CAS number of beta-Thujone?

The CAS Registry Number for beta-Thujone is 471-15-8.

Run AI retrosynthesis for beta-Thujone Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C10H16O.

Related targets

Similar compounds

2-Adamantanol 2-Cyclopentylcyclopentanone alpha-Pinene oxide alpha-Thujone camphor Limonene oxide

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References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.