1.0 2010-04-08 22:09:28 UTC 2019-11-26 03:04:33 UTC FDB011100 Calamensesquiterpinenol Constituent of the roots of Acorus calamus (sweet flag). Calamensesquiterpinenol is found in herbs and spices and root vegetables. 10-Hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one Calamenone C15H24O2 236.3499 236.177630012 10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.0¹,⁵]undecan-7-one 10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.0¹,⁵]undecan-7-one 156158-90-6 CC1CCC2C11CC(C)(CC1O)C(=O)C2(C)C InChI=1S/C15H24O2/c1-9-5-6-10-13(2,3)12(17)14(4)7-11(16)15(9,10)8-14/h9-11,16H,5-8H2,1-4H3 DDUWSZBURGHFEW-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 2.65 ALOGPS logs -3.33 ALOGPS solubility 1.12e-01 g/l ALOGPS logp 3.13 ChemAxon pka_strongest_acidic 14.65 ChemAxon pka_strongest_basic -3 ChemAxon iupac 10-hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.0¹,⁵]undecan-7-one ChemAxon average_mass 236.3499 ChemAxon mono_mass 236.177630012 ChemAxon smiles CC1CCC2C11CC(C)(CC1O)C(=O)C2(C)C ChemAxon formula C15H24O2 ChemAxon inchi InChI=1S/C15H24O2/c1-9-5-6-10-13(2,3)12(17)14(4)7-11(16)15(9,10)8-14/h9-11,16H,5-8H2,1-4H3 ChemAxon inchikey DDUWSZBURGHFEW-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 67.03 ChemAxon polarizability 27.23 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14977 Specdb::CMs 43100 Specdb::CMs 167164 Specdb::MsMs 90339 Specdb::MsMs 90340 Specdb::MsMs 90341 Specdb::MsMs 153474 Specdb::MsMs 153475 Specdb::MsMs 153476 Specdb::MsMs 2271444 Specdb::MsMs 2271445 Specdb::MsMs 2271446 Specdb::MsMs 3067214 Specdb::MsMs 3067215 Specdb::MsMs 3067216 HMDB33104 #<Reference:0x000055ce3263d458> Herbs and Spices Unknown generic Root vegetables Unknown generic