1.0 2010-04-08 22:12:01 UTC 2025-11-19 00:58:17 UTC FDB015735 Isokobusone Constituent of Cyperus rotundus (nutgrass). Isokobusone is found in root vegetables. 6-Hydroxy-15-nor-7(14)-caryophyllen-3-one C14H22O2 222.3233 222.161979948 5-hydroxy-10,10-dimethyl-6-methylidenebicyclo[7.2.0]undecan-2-one 5-hydroxy-10,10-dimethyl-6-methylidenebicyclo[7.2.0]undecan-2-one 24173-72-6 CC1(C)CC2C1CCC(=C)C(O)CCC2=O InChI=1S/C14H22O2/c1-9-4-5-11-10(8-14(11,2)3)13(16)7-6-12(9)15/h10-12,15H,1,4-8H2,2-3H3 BSFUDCIRZBAPDS-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 1.93 ALOGPS logs -2.71 ALOGPS solubility 4.32e-01 g/l ALOGPS melting_point Mp 108-109° logp 2.48 ChemAxon pka_strongest_acidic 14.62 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5-hydroxy-10,10-dimethyl-6-methylidenebicyclo[7.2.0]undecan-2-one ChemAxon average_mass 222.3233 ChemAxon mono_mass 222.161979948 ChemAxon smiles CC1(C)CC2C1CCC(=C)C(O)CCC2=O ChemAxon formula C14H22O2 ChemAxon inchi InChI=1S/C14H22O2/c1-9-4-5-11-10(8-14(11,2)3)13(16)7-6-12(9)15/h10-12,15H,1,4-8H2,2-3H3 ChemAxon inchikey BSFUDCIRZBAPDS-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 64.24 ChemAxon polarizability 25.63 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16763 Specdb::CMs 45039 Specdb::CMs 160703 Specdb::MsMs 45153 Specdb::MsMs 45154 Specdb::MsMs 45155 Specdb::MsMs 175770 Specdb::MsMs 175771 Specdb::MsMs 175772 Specdb::MsMs 439798 Specdb::MsMs 439799 Specdb::MsMs 449982 Specdb::MsMs 449983 Specdb::MsMs 2692775 Specdb::MsMs 2692776 Specdb::MsMs 2692777 Specdb::MsMs 2985872 Specdb::MsMs 2985873 Specdb::MsMs 2985874 HMDB36791 #<Reference:0x000055ce31a76520> Root vegetables Unknown generic