1.0 2010-04-08 22:05:17 UTC 2019-11-26 02:57:10 UTC FDB002215 3-Hydroxy-5Z-octenyl acetate Constituent of apples. 3-Hydroxy-5Z-octenyl acetate is found in pomes. (3x,5Z)-5-Octene-1,3-diyl acetate 3-Hydroxy-5Z-octenyl acetate 3x-Hydroxy-5Z-octenyl acetate C10H18O3 186.2481 186.125594442 (5Z)-3-hydroxyoct-5-en-1-yl acetate (5Z)-3-hydroxyoct-5-en-1-yl acetate 111-66-0 CC\C=C/CC(O)CCOC(C)=O InChI=1S/C10H18O3/c1-3-4-5-6-10(12)7-8-13-9(2)11/h4-5,10,12H,3,6-8H2,1-2H3/b5-4- WWZCBOHSNDHUER-PLNGDYQASA-N belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. Fatty alcohol esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Fatty alcohols Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty alcohol Fatty alcohol ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol logp 1.83 ALOGPS logs -1.56 ALOGPS solubility 5.17e+00 g/l ALOGPS logp 1.2 ChemAxon pka_strongest_acidic 15.13 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac (5Z)-3-hydroxyoct-5-en-1-yl acetate ChemAxon average_mass 186.2481 ChemAxon mono_mass 186.125594442 ChemAxon smiles CC\C=C/CC(O)CCOC(C)=O ChemAxon formula C10H18O3 ChemAxon inchi InChI=1S/C10H18O3/c1-3-4-5-6-10(12)7-8-13-9(2)11/h4-5,10,12H,3,6-8H2,1-2H3/b5-4- ChemAxon inchikey WWZCBOHSNDHUER-PLNGDYQASA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 52.43 ChemAxon polarizability 21.23 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12353 Specdb::CMs 41886 Specdb::CMs 158796 Specdb::MsIr 3890 Specdb::MsIr 3891 Specdb::MsIr 3892 Specdb::NmrOneD 161349 Specdb::NmrOneD 161350 Specdb::NmrOneD 161351 Specdb::NmrOneD 161352 Specdb::NmrOneD 161353 Specdb::NmrOneD 161354 Specdb::NmrOneD 161355 Specdb::NmrOneD 161356 Specdb::NmrOneD 161357 Specdb::NmrOneD 161358 Specdb::NmrOneD 161359 Specdb::NmrOneD 161360 Specdb::NmrOneD 161361 Specdb::NmrOneD 161362 Specdb::NmrOneD 161363 Specdb::NmrOneD 161364 Specdb::NmrOneD 161365 Specdb::NmrOneD 161366 Specdb::NmrOneD 161367 Specdb::NmrOneD 161368 Specdb::MsMs 81810 Specdb::MsMs 81811 Specdb::MsMs 81812 Specdb::MsMs 143016 Specdb::MsMs 143017 Specdb::MsMs 143018 Specdb::MsMs 2670195 Specdb::MsMs 2670196 Specdb::MsMs 2670197 Specdb::MsMs 3008236 Specdb::MsMs 3008237 Specdb::MsMs 3008238 HMDB30369 #<Reference:0x00007f093c01a620> Pomes Unknown generic