1.0 2010-04-08 22:05:47 UTC 2019-11-26 02:59:10 UTC FDB003413 Epiacoronene Constituent of Acorus calamus (sweet flag). Epiacoronene is found in herbs and spices and root vegetables. Epiacoronene C15H22O2 234.334 234.161979948 (1S,4S,5S)-4,8-dimethyl-1-(propan-2-yl)spiro[4.5]dec-8-ene-2,7-dione (1S,4S,5S)-1-isopropyl-4,8-dimethylspiro[4.5]dec-8-ene-2,7-dione CC(C)C1C(=O)CC(C)C11CC=C(C)C(=O)C1 InChI=1S/C15H22O2/c1-9(2)14-12(16)7-11(4)15(14)6-5-10(3)13(17)8-15/h5,9,11,14H,6-8H2,1-4H3 SXHQJMKFQDMBIW-UHFFFAOYSA-N belongs to the class of organic compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. Cyclohexenones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic homopolycyclic compounds Hydrocarbon derivatives Organic oxides Aliphatic homopolycyclic compound Cyclohexenone Hydrocarbon derivative Organic oxide logp 3.28 ChemAxon pka_strongest_acidic 19.94 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac (1S,4S,5S)-4,8-dimethyl-1-(propan-2-yl)spiro[4.5]dec-8-ene-2,7-dione ChemAxon average_mass 234.334 ChemAxon mono_mass 234.161979948 ChemAxon smiles CC(C)C1C(=O)CC(C)C11CC=C(C)C(=O)C1 ChemAxon formula C15H22O2 ChemAxon inchi InChI=1S/C15H22O2/c1-9(2)14-12(16)7-11(4)15(14)6-5-10(3)13(17)8-15/h5,9,11,14H,6-8H2,1-4H3 ChemAxon inchikey SXHQJMKFQDMBIW-UHFFFAOYSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 69.04 ChemAxon polarizability 27 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Herbs and Spices Unknown generic Root vegetables Unknown generic