1.0 2010-04-08 22:11:19 UTC 2018-05-29 01:12:45 UTC FDB014527 8-Hydroxy-4(6)-lactarene-5,14-diol Constituent of Lactarius piperatus C15H26O3 254.3651 254.188194698 5,6-bis(hydroxymethyl)-2,2,8-trimethyl-1,2,3,3a,4,5,8,8a-octahydroazulen-4-ol 5,6-bis(hydroxymethyl)-2,2,8-trimethyl-3,3a,4,5,8,8a-hexahydro-1H-azulen-4-ol CC1C=C(CO)C(CO)C(O)C2CC(C)(C)CC12 InChI=1S/C15H26O3/c1-9-4-10(7-16)13(8-17)14(18)12-6-15(2,3)5-11(9)12/h4,9,11-14,16-18H,5-8H2,1-3H3 UMXJEXAFNWMBJX-UHFFFAOYSA-N belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl). Secondary alcohols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic homopolycyclic compounds Hydrocarbon derivatives Primary alcohols Aliphatic homopolycyclic compound Hydrocarbon derivative Primary alcohol Secondary alcohol logp 0.80 ALOGPS logs -2.49 ALOGPS solubility 8.30e-01 g/l ALOGPS logp 0.8 ChemAxon pka_strongest_acidic 14.39 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 5,6-bis(hydroxymethyl)-2,2,8-trimethyl-1,2,3,3a,4,5,8,8a-octahydroazulen-4-ol ChemAxon average_mass 254.3651 ChemAxon mono_mass 254.188194698 ChemAxon smiles CC1C=C(CO)C(CO)C(O)C2CC(C)(C)CC12 ChemAxon formula C15H26O3 ChemAxon inchi InChI=1S/C15H26O3/c1-9-4-10(7-16)13(8-17)14(18)12-6-15(2,3)5-11(9)12/h4,9,11-14,16-18H,5-8H2,1-3H3 ChemAxon inchikey UMXJEXAFNWMBJX-UHFFFAOYSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 72.74 ChemAxon polarizability 29.68 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21769 Specdb::CMs 44558 Specdb::CMs 134134 Specdb::CMs 141868 Specdb::MsMs 8465 Specdb::MsMs 8466 Specdb::MsMs 8467 Specdb::MsMs 15137 Specdb::MsMs 15138 Specdb::MsMs 15139 Specdb::MsMs 2840358 Specdb::MsMs 2840359 Specdb::MsMs 2840360 Specdb::MsMs 2864685 Specdb::MsMs 2864686 Specdb::MsMs 2864687 HMDB35780 #<Reference:0x000055ce32581848>