1.0 2010-04-08 22:09:48 UTC 2019-11-26 03:05:22 UTC FDB011742 (2xi,3xi,6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrol Constituent of Foeniculum vulgare (fennel). (2xi,3xi,6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrol is found in herbs and spices. C10H20O4 204.2634 204.136159128 (6E)-3,7-dimethyloct-6-ene-1,2,3,8-tetrol (6E)-3,7-dimethyloct-6-ene-1,2,3,8-tetrol 240495-79-8 C\C(CO)=C/CCC(C)(O)C(O)CO InChI=1S/C10H20O4/c1-8(6-11)4-3-5-10(2,14)9(13)7-12/h4,9,11-14H,3,5-7H2,1-2H3/b8-4+ WLZNCAXWAFHRLP-XBXARRHUSA-N belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle. Acyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic acyclic compounds Fatty alcohols Hydrocarbon derivatives Polyols Primary alcohols Secondary alcohols Tertiary alcohols Acyclic monoterpenoid Alcohol Aliphatic acyclic compound Fatty acyl Fatty alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Polyol Primary alcohol Secondary alcohol Tertiary alcohol logp -0.45 ALOGPS logs -0.96 ALOGPS solubility 2.21e+01 g/l ALOGPS logp -0.68 ChemAxon pka_strongest_acidic 13.16 ChemAxon pka_strongest_basic -2.1 ChemAxon iupac (6E)-3,7-dimethyloct-6-ene-1,2,3,8-tetrol ChemAxon average_mass 204.2634 ChemAxon mono_mass 204.136159128 ChemAxon smiles C\C(CO)=C/CCC(C)(O)C(O)CO ChemAxon formula C10H20O4 ChemAxon inchi InChI=1S/C10H20O4/c1-8(6-11)4-3-5-10(2,14)9(13)7-12/h4,9,11-14H,3,5-7H2,1-2H3/b8-4+ ChemAxon inchikey WLZNCAXWAFHRLP-XBXARRHUSA-N ChemAxon polar_surface_area 80.92 ChemAxon refractivity 55.07 ChemAxon polarizability 22.74 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11337 Specdb::CMs 43404 Specdb::CMs 137944 Specdb::CMs 145678 Specdb::MsMs 66234 Specdb::MsMs 66235 Specdb::MsMs 66236 Specdb::MsMs 123744 Specdb::MsMs 123745 Specdb::MsMs 123746 Specdb::MsMs 2421483 Specdb::MsMs 2421484 Specdb::MsMs 2421485 Specdb::MsMs 2544973 Specdb::MsMs 2544974 Specdb::MsMs 2544975 Specdb::NmrOneD 121238 Specdb::NmrOneD 121239 Specdb::NmrOneD 121240 Specdb::NmrOneD 121241 Specdb::NmrOneD 121242 Specdb::NmrOneD 121243 Specdb::NmrOneD 121244 Specdb::NmrOneD 121245 Specdb::NmrOneD 121246 Specdb::NmrOneD 121247 Specdb::NmrOneD 121248 Specdb::NmrOneD 121249 Specdb::NmrOneD 121250 Specdb::NmrOneD 121251 Specdb::NmrOneD 121252 Specdb::NmrOneD 121253 Specdb::NmrOneD 121254 Specdb::NmrOneD 121255 Specdb::NmrOneD 121256 Specdb::NmrOneD 121257 HMDB33642 #<Reference:0x000055ce30590048> Herbs and Spices Unknown generic