1.0 2010-04-08 22:09:48 UTC 2019-11-26 03:05:22 UTC FDB011740 7-Methyl-3-methylene-1,6,7-octanetriol Constituent of Foeniculum vulgare (fennel). 7-Methyl-3-methylene-1,6,7-octanetriol is found in herbs and spices. C10H20O3 188.264 188.141244506 7-methyl-3-methylideneoctane-1,6,7-triol 7-methyl-3-methylideneoctane-1,6,7-triol 240495-78-7 CC(C)(O)C(O)CCC(=C)CCO InChI=1S/C10H20O3/c1-8(6-7-11)4-5-9(12)10(2,3)13/h9,11-13H,1,4-7H2,2-3H3 FYRNCGDEPAEUMD-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 0.26 ALOGPS logs -0.99 ALOGPS solubility 1.91e+01 g/l ALOGPS logp 0.26 ChemAxon pka_strongest_acidic 13.84 ChemAxon pka_strongest_basic -1.9 ChemAxon iupac 7-methyl-3-methylideneoctane-1,6,7-triol ChemAxon average_mass 188.264 ChemAxon mono_mass 188.141244506 ChemAxon smiles CC(C)(O)C(O)CCC(=C)CCO ChemAxon formula C10H20O3 ChemAxon inchi InChI=1S/C10H20O3/c1-8(6-7-11)4-5-9(12)10(2,3)13/h9,11-13H,1,4-7H2,2-3H3 ChemAxon inchikey FYRNCGDEPAEUMD-UHFFFAOYSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 52.61 ChemAxon polarizability 21.62 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10010 Specdb::CMs 43403 Specdb::CMs 147784 Specdb::MsIr 6192 Specdb::MsIr 6193 Specdb::MsIr 6194 Specdb::MsMs 82014 Specdb::MsMs 82015 Specdb::MsMs 82016 Specdb::MsMs 143262 Specdb::MsMs 143263 Specdb::MsMs 143264 Specdb::MsMs 2355534 Specdb::MsMs 2355535 Specdb::MsMs 2355536 Specdb::MsMs 2606716 Specdb::MsMs 2606717 Specdb::MsMs 2606718 Specdb::NmrOneD 121218 Specdb::NmrOneD 121219 Specdb::NmrOneD 121220 Specdb::NmrOneD 121221 Specdb::NmrOneD 121222 Specdb::NmrOneD 121223 Specdb::NmrOneD 121224 Specdb::NmrOneD 121225 Specdb::NmrOneD 121226 Specdb::NmrOneD 121227 Specdb::NmrOneD 121228 Specdb::NmrOneD 121229 Specdb::NmrOneD 121230 Specdb::NmrOneD 121231 Specdb::NmrOneD 121232 Specdb::NmrOneD 121233 Specdb::NmrOneD 121234 Specdb::NmrOneD 121235 Specdb::NmrOneD 121236 Specdb::NmrOneD 121237 HMDB33640 #<Reference:0x000055ce31a66440> Herbs and Spices Unknown generic