
(+)-Nootkatone
(+)-nootkatone is a sesquiterpenoid that is 4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one which is substituted by methyl groups at positions 4 and 4a, and by an isopropenyl group at position 6 (the 4R,4aS,6R stereoisomer). It has a role as a fragrance, an insect repellent and a plant metabolite. It is a sesquiterpenoid, a carbobicyclic compound and an enone. — ChEBI
- IUPAC name
- (4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
- Molecular formula
- C15H22O
- Molecular weight
- 218.33 g/mol
- Exact mass
- 218.167065321 Da
- XLogP3
- 3.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 1
- Covalent units
- 1
- Defined stereocentres
- 3
Also known as
16 more reported names
External database identifiers
- ChEBI:CHEBI:81377
- ChEMBL:CHEMBL446299
- EPA DTXSID:DTXSID8047050
- PubMed:35833337
- PubMed:23025184
- PubMed:22877740
- PubMed:22308777
- PubMed:22299371
- PubMed:22264428
- PubMed:22238870
- PubMed:22223101
- PubMed:22076991
- PubMed:22069667
- PubMed:21941921
- PubMed:21843620
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.