1.0 2010-04-08 22:13:03 UTC 2019-11-26 03:14:43 UTC FDB017366 alpha-Bisabolol oxide C Constituent of Matricaria chamomilla (German chamomile). alpha-Bisabolol oxide C is found in many foods, some of which are herbs and spices, fats and oils, german camomile, and tea. 1,5-Bis(2-carboxyanilino)anthraquinone alpha-Bisabolol oxide C Anthranilic acid, N,N'-1,5-anthraquinonylenedi- Anthranilic acid, N,N'-1,5-anthraquinonylenedi-- Bisabolol oxide C N,N'-(1,5-Anthraquinonylene)dianthranilic acid N,N'-1,5-anthraquinonylenedi--anthranilic acid N,N'-1,5-anthraquinonylenedi-anthranilic acid Violet BN acid anthraquinone Vulcan violet BN C15H26O2 238.3657 238.193280076 1,3-dimethyl-3-(4-methylpent-3-en-1-yl)-2-oxabicyclo[2.2.2]octan-6-ol 1,3-dimethyl-3-(4-methylpent-3-en-1-yl)-2-oxabicyclo[2.2.2]octan-6-ol 59861-08-4 CC(C)=CCCC1(C)OC2(C)CCC1CC2O InChI=1S/C15H26O2/c1-11(2)6-5-8-14(3)12-7-9-15(4,17-14)13(16)10-12/h6,12-13,16H,5,7-10H2,1-4H3 YXKYEDPZIRLAKN-UHFFFAOYSA-N belongs to the class of organic compounds known as oxanes. Oxanes are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms. Oxanes Organic compounds Organoheterocyclic compounds Oxanes Aliphatic heteropolycyclic compounds Cyclic alcohols and derivatives Dialkyl ethers Hydrocarbon derivatives Oxacyclic compounds Secondary alcohols Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Oxane Secondary alcohol logp 3.64 ALOGPS logs -3.19 ALOGPS solubility 1.54e-01 g/l ALOGPS melting_point Mp 99-100° logp 3.01 ChemAxon pka_strongest_acidic 13.99 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 1,3-dimethyl-3-(4-methylpent-3-en-1-yl)-2-oxabicyclo[2.2.2]octan-6-ol ChemAxon average_mass 238.3657 ChemAxon mono_mass 238.193280076 ChemAxon smiles CC(C)=CCCC1(C)OC2(C)CCC1CC2O ChemAxon formula C15H26O2 ChemAxon inchi InChI=1S/C15H26O2/c1-11(2)6-5-8-14(3)12-7-9-15(4,17-14)13(16)10-12/h6,12-13,16H,5,7-10H2,1-4H3 ChemAxon inchikey YXKYEDPZIRLAKN-UHFFFAOYSA-N ChemAxon polar_surface_area 29.46 ChemAxon refractivity 70.95 ChemAxon polarizability 28.51 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18572 Specdb::CMs 45697 Specdb::CMs 153566 Specdb::MsMs 93162 Specdb::MsMs 93163 Specdb::MsMs 93164 Specdb::MsMs 156891 Specdb::MsMs 156892 Specdb::MsMs 156893 Specdb::MsMs 2376434 Specdb::MsMs 2376435 Specdb::MsMs 2376436 Specdb::MsMs 2562228 Specdb::MsMs 2562229 Specdb::MsMs 2562230 HMDB38138 #<Reference:0x000055ce316832d8> Black tea Type 1 Fats and oils Unknown generic German camomile Type 1 specific Matricaria recutita 127986 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442