1.0 2010-04-08 22:08:30 UTC 2025-11-18 23:15:26 UTC FDB009276 Dehydronootkatone It is used as a food additive . C15H20O 216.324 216.151415264 (4R,4aS,6S)-4,4a-dimethyl-6-(prop-1-en-2-yl)-2,3,4,4a,5,6-hexahydronaphthalen-2-one (4R,4aS,6S)-4,4a-dimethyl-6-(prop-1-en-2-yl)-3,4,5,6-tetrahydronaphthalen-2-one 5090-63-1 [H][C@@]1(C)CC(=O)C=C2C=C[C@]([H])(C[C@@]12C)C(C)=C InChI=1S/C15H20O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h5-6,8,11-12H,1,7,9H2,2-4H3/t11-,12-,15+/m1/s1 PHRADXUJOZKVDN-JMSVASOKSA-N belongs to the class of organic compounds known as eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids. These are sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5. Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homopolycyclic compounds Cyclohexenones Hydrocarbon derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Cyclic ketone Cyclohexenone Eremophilane sesquiterpenoid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound logp 4.09 ALOGPS logs -3.81 ALOGPS solubility 3.32e-02 g/l ALOGPS logp 3.34 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac (4R,4aS,6S)-4,4a-dimethyl-6-(prop-1-en-2-yl)-2,3,4,4a,5,6-hexahydronaphthalen-2-one ChemAxon average_mass 216.324 ChemAxon mono_mass 216.151415264 ChemAxon smiles [H][C@@]1(C)CC(=O)C=C2C=C[C@]([H])(C[C@@]12C)C(C)=C ChemAxon formula C15H20O ChemAxon inchi InChI=1S/C15H20O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h5-6,8,11-12H,1,7,9H2,2-4H3/t11-,12-,15+/m1/s1 ChemAxon inchikey PHRADXUJOZKVDN-JMSVASOKSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 69.19 ChemAxon polarizability 24.98 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 81540 Specdb::MsMs 81541 Specdb::MsMs 81542 Specdb::MsMs 142662 Specdb::MsMs 142663 Specdb::MsMs 142664 Specdb::MsMs 3604864 Specdb::MsMs 3604865 Specdb::MsMs 3604866 Specdb::MsMs 3604867 Specdb::MsMs 3604868 Specdb::MsMs 3604869 citrus fruity grapefruit