1.0 2020-04-02 17:47:23 UTC 2025-11-19 03:07:48 UTC FDB097308 Linalool (8-hydroxydihydro-) C32H42O14 650.674 650.257456032 2,6-dimethyloct-7-ene-1,6-diol 2,6-dimethyloct-7-ene-1,6-diol CC1(C)O[C@H]2CC(=O)OC[C@@]22[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@](C)([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2=COC=C2)[C@@]11O[C@@H]1C(O)=O InChI=1S/C32H42O14/c1-28(2)17-9-18(34)30(4)16(31(17)13-42-20(35)10-19(31)45-28)5-7-29(3,32(30)25(46-32)26(39)40)24(14-6-8-41-12-14)44-27-23(38)22(37)21(36)15(11-33)43-27/h6,8,12,15-17,19,21-25,27,33,36-38H,5,7,9-11,13H2,1-4H3,(H,39,40)/t15-,16+,17+,19+,21-,22+,23-,24+,25-,27+,29+,30+,31-,32-/m1/s1 FYIKIBQJAJRKQM-WNCNYDOCSA-N belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. Fatty alcohols Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Aliphatic acyclic compounds Hydrocarbon derivatives Primary alcohols Tertiary alcohols Alcohol Aliphatic acyclic compound Fatty alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol Tertiary alcohol logp 1.98 ALOGPS logs -1.82 ALOGPS solubility 2.62e+00 g/l ALOGPS logp 1.69 ChemAxon pka_strongest_acidic 17.42 ChemAxon pka_strongest_basic -1.2 ChemAxon iupac 2,6-dimethyloct-7-ene-1,6-diol ChemAxon average_mass 650.674 ChemAxon mono_mass 650.257456032 ChemAxon smiles CC1(C)O[C@H]2CC(=O)OC[C@@]22[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@](C)([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2=COC=C2)[C@@]11O[C@@H]1C(O)=O ChemAxon formula C32H42O14 ChemAxon inchi InChI=1S/C32H42O14/c1-28(2)17-9-18(34)30(4)16(31(17)13-42-20(35)10-19(31)45-28)5-7-29(3,32(30)25(46-32)26(39)40)24(14-6-8-41-12-14)44-27-23(38)22(37)21(36)15(11-33)43-27/h6,8,12,15-17,19,21-25,27,33,36-38H,5,7,9-11,13H2,1-4H3,(H,39,40)/t15-,16+,17+,19+,21-,22+,23-,24+,25-,27+,29+,30+,31-,32-/m1/s1 ChemAxon inchikey FYIKIBQJAJRKQM-WNCNYDOCSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 51.21 ChemAxon polarizability 20.82 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 241321 Specdb::MsMs 241322 Specdb::MsMs 241323 Specdb::MsMs 243376 Specdb::MsMs 243377 Specdb::MsMs 243378 Specdb::CMs 5957 Grape Type 1 specific Vitis 3603 Grape wine Type 2 specific Milk (Cow) Type 2 specific 0.7375 0.89 0.66 uM