1.0 2010-04-08 22:05:17 UTC 2019-11-26 02:57:10 UTC FDB002213 Ethyl (3R,5Z)-3-hydroxy-5-octenoate Constituent of apple juice. Ethyl (3R,5Z)-3-hydroxy-5-octenoate is found in pomes. Ethyl (3R,5Z)-3-hydroxy-5-octenoate C10H18O3 186.2481 186.125594442 ethyl (5Z)-3-hydroxyoct-5-enoate ethyl (5Z)-3-hydroxyoct-5-enoate 182510-22-1 CCOC(=O)CC(O)C\C=C/CC InChI=1S/C10H18O3/c1-3-5-6-7-9(11)8-10(12)13-4-2/h5-6,9,11H,3-4,7-8H2,1-2H3/b6-5- UIWVSNIRNXLEKC-WAYWQWQTSA-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 Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Alcohol Aliphatic acyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty alcohol Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol logp 2.19 ALOGPS logs -1.56 ALOGPS solubility 5.11e+00 g/l ALOGPS logp 1.61 ChemAxon pka_strongest_acidic 14.94 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac ethyl (5Z)-3-hydroxyoct-5-enoate ChemAxon average_mass 186.2481 ChemAxon mono_mass 186.125594442 ChemAxon smiles CCOC(=O)CC(O)C\C=C/CC ChemAxon formula C10H18O3 ChemAxon inchi InChI=1S/C10H18O3/c1-3-5-6-7-9(11)8-10(12)13-4-2/h5-6,9,11H,3-4,7-8H2,1-2H3/b6-5- ChemAxon inchikey UIWVSNIRNXLEKC-WAYWQWQTSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 52.43 ChemAxon polarizability 21.09 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18080 Specdb::CMs 41884 Specdb::CMs 130883 Specdb::CMs 138617 Specdb::MsIr 3884 Specdb::MsIr 3885 Specdb::MsIr 3886 Specdb::MsMs 104376 Specdb::MsMs 104377 Specdb::MsMs 104378 Specdb::MsMs 170640 Specdb::MsMs 170641 Specdb::MsMs 170642 Specdb::MsMs 2295639 Specdb::MsMs 2295640 Specdb::MsMs 2295641 Specdb::MsMs 2642667 Specdb::MsMs 2642668 Specdb::MsMs 2642669 Specdb::NmrOneD 17182 Specdb::NmrOneD 17183 Specdb::NmrOneD 17184 Specdb::NmrOneD 17185 Specdb::NmrOneD 17186 Specdb::NmrOneD 17187 Specdb::NmrOneD 17188 Specdb::NmrOneD 17189 Specdb::NmrOneD 17190 Specdb::NmrOneD 17191 Specdb::NmrOneD 17192 Specdb::NmrOneD 17193 Specdb::NmrOneD 17194 Specdb::NmrOneD 17195 Specdb::NmrOneD 17196 Specdb::NmrOneD 17197 Specdb::NmrOneD 17198 Specdb::NmrOneD 17199 Specdb::NmrOneD 17200 Specdb::NmrOneD 17201 HMDB30367 #<Reference:0x000055ce3274db90> Pomes Unknown generic