1.0 2010-04-08 22:09:32 UTC 2019-11-26 03:04:42 UTC FDB011231 (2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol Constituent of Foeniculum vulgare (fennel). (2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol is found in herbs and spices. C10H20O4 204.2634 204.136159128 7-methyl-3-methylideneoctane-1,2,6,7-tetrol 7-methyl-3-methylideneoctane-1,2,6,7-tetrol 217449-59-7 CC(C)(O)C(O)CCC(=C)C(O)CO InChI=1S/C10H20O4/c1-7(8(12)6-11)4-5-9(13)10(2,3)14/h8-9,11-14H,1,4-6H2,2-3H3 GGDOZDCNLKHEMH-UHFFFAOYSA-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 Polyols Primary alcohols Secondary alcohols Tertiary alcohols Alcohol Aliphatic acyclic compound Fatty alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Polyol Primary alcohol Secondary alcohol Tertiary alcohol logp -0.39 ALOGPS logs -0.71 ALOGPS solubility 4.00e+01 g/l ALOGPS logp -0.66 ChemAxon pka_strongest_acidic 13.52 ChemAxon pka_strongest_basic -3 ChemAxon iupac 7-methyl-3-methylideneoctane-1,2,6,7-tetrol ChemAxon average_mass 204.2634 ChemAxon mono_mass 204.136159128 ChemAxon smiles CC(C)(O)C(O)CCC(=C)C(O)CO ChemAxon formula C10H20O4 ChemAxon inchi InChI=1S/C10H20O4/c1-7(8(12)6-11)4-5-9(13)10(2,3)14/h8-9,11-14H,1,4-6H2,2-3H3 ChemAxon inchikey GGDOZDCNLKHEMH-UHFFFAOYSA-N ChemAxon polar_surface_area 80.92 ChemAxon refractivity 53.82 ChemAxon polarizability 22.22 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15608 Specdb::CMs 43147 Specdb::CMs 145941 Specdb::NmrOneD 118758 Specdb::NmrOneD 118759 Specdb::NmrOneD 118760 Specdb::NmrOneD 118761 Specdb::NmrOneD 118762 Specdb::NmrOneD 118763 Specdb::NmrOneD 118764 Specdb::NmrOneD 118765 Specdb::NmrOneD 118766 Specdb::NmrOneD 118767 Specdb::NmrOneD 118768 Specdb::NmrOneD 118769 Specdb::NmrOneD 118770 Specdb::NmrOneD 118771 Specdb::NmrOneD 118772 Specdb::NmrOneD 118773 Specdb::NmrOneD 118774 Specdb::NmrOneD 118775 Specdb::NmrOneD 118776 Specdb::NmrOneD 118777 Specdb::MsMs 79599 Specdb::MsMs 79600 Specdb::MsMs 79601 Specdb::MsMs 140244 Specdb::MsMs 140245 Specdb::MsMs 140246 Specdb::MsMs 2713609 Specdb::MsMs 2713610 Specdb::MsMs 2713611 Specdb::MsMs 2964786 Specdb::MsMs 2964787 Specdb::MsMs 2964788 HMDB33217 #<Reference:0x000055ce31cd0028> Herbs and Spices Unknown generic