1.0 2010-04-08 22:11:57 UTC 2019-11-26 03:11:56 UTC FDB015610 Cyperolone Constituent of Cyperus rotundus (nutgrass). Cyperolone is found in root vegetables. C15H24O2 236.3499 236.177630012 1-[3-hydroxy-7a-methyl-5-(prop-1-en-2-yl)-octahydro-1H-inden-3a-yl]ethan-1-one 1-[3-hydroxy-7a-methyl-5-(prop-1-en-2-yl)-hexahydro-1H-inden-3a-yl]ethanone 13741-46-3 CC(=C)C1CCC2(C)CCC(O)C2(C1)C(C)=O InChI=1S/C15H24O2/c1-10(2)12-5-7-14(4)8-6-13(17)15(14,9-12)11(3)16/h12-13,17H,1,5-9H2,2-4H3 YALFFHSIVPCNLF-UHFFFAOYSA-N belongs to the class of organic compounds known as cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group. Cyclic alcohols and derivatives Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic homopolycyclic compounds Hydrocarbon derivatives Ketones Organic oxides Secondary alcohols Aliphatic homopolycyclic compound Carbonyl group Cyclic alcohol Hydrocarbon derivative Ketone Organic oxide Secondary alcohol logp 2.76 ALOGPS logs -3.09 ALOGPS solubility 1.90e-01 g/l ALOGPS melting_point Mp 41-42° logp 2.78 ChemAxon pka_strongest_acidic 14.52 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1-[3-hydroxy-7a-methyl-5-(prop-1-en-2-yl)-octahydro-1H-inden-3a-yl]ethan-1-one ChemAxon average_mass 236.3499 ChemAxon mono_mass 236.177630012 ChemAxon smiles CC(=C)C1CCC2(C)CCC(O)C2(C1)C(C)=O ChemAxon formula C15H24O2 ChemAxon inchi InChI=1S/C15H24O2/c1-10(2)12-5-7-14(4)8-6-13(17)15(14,9-12)11(3)16/h12-13,17H,1,5-9H2,2-4H3 ChemAxon inchikey YALFFHSIVPCNLF-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 68.71 ChemAxon polarizability 27.3 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23941 Specdb::CMs 44971 Specdb::CMs 156876 Specdb::MsMs 7376 Specdb::MsMs 7377 Specdb::MsMs 7378 Specdb::MsMs 14048 Specdb::MsMs 14049 Specdb::MsMs 14050 Specdb::MsMs 2762206 Specdb::MsMs 2762207 Specdb::MsMs 2762208 Specdb::MsMs 2946279 Specdb::MsMs 2946280 Specdb::MsMs 2946281 HMDB36680 #<Reference:0x000055ce2f6d5620> Root vegetables Unknown generic