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Retrosynthesis · AI + evidence

alpha-Thujone (C10H16O)

alpha-Thujone (C10H16O; CAS 546-80-5) is a practical retrosynthesis target. alpha-Thujone presents a C10 framework. Open AI route search in one click below.

Target
alpha-Thujone
CAS
546-80-5
Formula
C10H16O
Approx. MW
152.24
SMILES
CC(C)[C@]12CC(=O)[C@H](C)[C@H]1C2
PubChem CID
261491
Approx. carbons
C10

alpha-Thujone structure

Properties

IUPAC name
(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
Common names
alpha-Thujone; 546-80-5; THUJONE; (-)-alpha-thujone; l-Thujone; (-)-3-thujanone; DTXSID3026148; (1S,4R,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one; R0SQ9G0DU5; 3-Thujanone, (1S,4R,5R)-(-)-
Molecular weight
152.23
Exact mass
152.12
InChIKey
USMNOWBWPHYOEA-MRTMQBJTSA-N
Melting point
< 25 °C
Boiling point
200.00 to 201.00 °C. @ 760.00 mm Hg

View on PubChem

alpha-Thujone 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of alpha-Thujone?

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

What is the CAS number of alpha-Thujone?

The CAS Registry Number for alpha-Thujone is 546-80-5.

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

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

Related targets

Similar compounds

2-Adamantanol2-Cyclopentylcyclopentanonealpha-Pinene oxidebeta-ThujonecamphorLimonene oxide

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References & tools