1.0 2010-04-08 22:05:17 UTC 2019-11-26 02:57:10 UTC FDB002214 (3R,5Z)-5-Octene-1,3-diol Constituent of apple juice. (3R,5Z)-5-Octene-1,3-diol is found in pomes. C8H16O2 144.2114 144.115029756 (5Z)-oct-5-ene-1,3-diol (5Z)-oct-5-ene-1,3-diol 130272-38-7 CC\C=C/CC(O)CCO InChI=1S/C8H16O2/c1-2-3-4-5-8(10)6-7-9/h3-4,8-10H,2,5-7H2,1H3/b4-3- QTHIKVMVWXLPKQ-ARJAWSKDSA-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 Primary alcohols Secondary alcohols Alcohol Aliphatic acyclic compound Fatty alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol logp 1.35 ALOGPS logs -0.74 ALOGPS solubility 2.62e+01 g/l ALOGPS logp 0.76 ChemAxon pka_strongest_acidic 15.06 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac (5Z)-oct-5-ene-1,3-diol ChemAxon average_mass 144.2114 ChemAxon mono_mass 144.115029756 ChemAxon smiles CC\C=C/CC(O)CCO ChemAxon formula C8H16O2 ChemAxon inchi InChI=1S/C8H16O2/c1-2-3-4-5-8(10)6-7-9/h3-4,8-10H,2,5-7H2,1H3/b4-3- ChemAxon inchikey QTHIKVMVWXLPKQ-ARJAWSKDSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 43.28 ChemAxon polarizability 17 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21802 Specdb::CMs 41885 Specdb::CMs 132617 Specdb::CMs 140351 Specdb::MsIr 3887 Specdb::MsIr 3888 Specdb::MsIr 3889 Specdb::MsMs 92772 Specdb::MsMs 92773 Specdb::MsMs 92774 Specdb::MsMs 156453 Specdb::MsMs 156454 Specdb::MsMs 156455 Specdb::MsMs 2418759 Specdb::MsMs 2418760 Specdb::MsMs 2418761 Specdb::MsMs 2543852 Specdb::MsMs 2543853 Specdb::MsMs 2543854 Specdb::NmrOneD 17202 Specdb::NmrOneD 17203 Specdb::NmrOneD 17204 Specdb::NmrOneD 17205 Specdb::NmrOneD 17206 Specdb::NmrOneD 17207 Specdb::NmrOneD 17208 Specdb::NmrOneD 17209 Specdb::NmrOneD 17210 Specdb::NmrOneD 17211 Specdb::NmrOneD 17212 Specdb::NmrOneD 17213 Specdb::NmrOneD 17214 Specdb::NmrOneD 17215 Specdb::NmrOneD 17216 Specdb::NmrOneD 17217 Specdb::NmrOneD 17218 Specdb::NmrOneD 17219 Specdb::NmrOneD 17220 Specdb::NmrOneD 17221 HMDB30368 #<Reference:0x000055ce2ec7dba0> Pomes Unknown generic