1.0 2010-04-08 22:10:53 UTC 2025-11-19 00:34:33 UTC FDB013755 (S,E)-2,6-Dimethyl-5,7-octadiene-2,3-diol Isolated from Passiflora quadrangularis (giant grandilla). (S,E)-2,6-Dimethyl-5,7-octadiene-2,3-diol is found in fruits. C10H18O2 170.2487 170.13067982 (5E)-2,6-dimethylocta-5,7-diene-2,3-diol (5E)-2,6-dimethylocta-5,7-diene-2,3-diol 261917-31-1 C\C(C=C)=C/CC(O)C(C)(C)O InChI=1S/C10H18O2/c1-5-8(2)6-7-9(11)10(3,4)12/h5-6,9,11-12H,1,7H2,2-4H3/b8-6+ BTHAWHOTHGQIKC-SOFGYWHQSA-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 1,2-diols Hydrocarbon derivatives Secondary alcohols Tertiary alcohols 1,2-diol Alcohol Aliphatic acyclic compound Fatty alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Tertiary alcohol logp 1.47 ALOGPS logs -1.41 ALOGPS solubility 6.55e+00 g/l ALOGPS logp 1.34 ChemAxon pka_strongest_acidic 13.8 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac (5E)-2,6-dimethylocta-5,7-diene-2,3-diol ChemAxon average_mass 170.2487 ChemAxon mono_mass 170.13067982 ChemAxon smiles C\C(C=C)=C/CC(O)C(C)(C)O ChemAxon formula C10H18O2 ChemAxon inchi InChI=1S/C10H18O2/c1-5-8(2)6-7-9(11)10(3,4)12/h5-6,9,11-12H,1,7H2,2-4H3/b8-6+ ChemAxon inchikey BTHAWHOTHGQIKC-SOFGYWHQSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 51.8 ChemAxon polarizability 20.07 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 106236 Specdb::MsMs 106237 Specdb::MsMs 106238 Specdb::MsMs 172914 Specdb::MsMs 172915 Specdb::MsMs 172916 Specdb::MsMs 2799748 Specdb::MsMs 2799749 Specdb::MsMs 2799750 Specdb::MsMs 2882702 Specdb::MsMs 2882703 Specdb::MsMs 2882704 Specdb::CMs 25442 Specdb::CMs 44204 Specdb::CMs 167210 Specdb::MsIr 6809 Specdb::MsIr 6810 Specdb::MsIr 6811 Specdb::NmrOneD 130038 Specdb::NmrOneD 130039 Specdb::NmrOneD 130040 Specdb::NmrOneD 130041 Specdb::NmrOneD 130042 Specdb::NmrOneD 130043 Specdb::NmrOneD 130044 Specdb::NmrOneD 130045 Specdb::NmrOneD 130046 Specdb::NmrOneD 130047 Specdb::NmrOneD 130048 Specdb::NmrOneD 130049 Specdb::NmrOneD 130050 Specdb::NmrOneD 130051 Specdb::NmrOneD 130052 Specdb::NmrOneD 130053 Specdb::NmrOneD 130054 Specdb::NmrOneD 130055 Specdb::NmrOneD 130056 Specdb::NmrOneD 130057 HMDB35122 #<Reference:0x000055ce32fbcd58> Fruits Unknown generic