1.0 2010-04-08 22:07:39 UTC 2025-11-18 23:04:59 UTC FDB007525 3,7-Dimethyl-octa-1,7-dien-3,6-diol 3,7-dimethyl-octa-1,7-dien-3,6-diol is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. 3,7-dimethyl-octa-1,7-dien-3,6-diol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 3,7-dimethyl-octa-1,7-dien-3,6-diol can be found in common grape, which makes 3,7-dimethyl-octa-1,7-dien-3,6-diol a potential biomarker for the consumption of this food product. 3,7-dimethyl-octa-1,7-dien-3,6-diol may be a unique S.cerevisiae (yeast) metabolite. 1,7-Octadiene-3,6-diol, 2,6-dimethyl- 2,6-dimethyl-1,7-octadien-3,6-diol 2,6-Dimethyl-1,7-octadiene-3,6-diol 2,6-Dimethyl-octa-1,7-dien-3,6-diol 2,6-dimethylocta-1,7-dien-3,6-diol 3,7-Dimethyl-1,7-octadien-3,6-diol 3,7-dimethyl-1,7-octadiene-3,6-diol 3,7-dimethylocta-1,7-dien-3,6-diol 3,7-dimethylocta-1,7-diene-3,6-diol C10H18O2 170.252 170.13067982 2,6-dimethylocta-1,7-diene-3,6-diol 2,6-dimethylocta-1,7-diene-3,6-diol CC(=C)C(O)CCC(C)(O)C=C InChI=1S/C10H18O2/c1-5-10(4,12)7-6-9(11)8(2)3/h5,9,11-12H,1-2,6-7H2,3-4H3 HZHJGFRDKJPQPV-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 Secondary alcohols Tertiary alcohols Alcohol Aliphatic acyclic compound Fatty alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Tertiary alcohol logp 1.28 ALOGPS logs -1.57 ALOGPS solubility 4.55e+00 g/l ALOGPS logp 1.47 ChemAxon pka_strongest_acidic 14.37 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 2,6-dimethylocta-1,7-diene-3,6-diol ChemAxon average_mass 170.252 ChemAxon mono_mass 170.13067982 ChemAxon smiles CC(=C)C(O)CCC(C)(O)C=C ChemAxon formula C10H18O2 ChemAxon inchi InChI=1S/C10H18O2/c1-5-10(4,12)7-6-9(11)8(2)3/h5,9,11-12H,1-2,6-7H2,3-4H3 ChemAxon inchikey HZHJGFRDKJPQPV-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 50.65 ChemAxon polarizability 19.83 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2413 Specdb::MsMs 106818 Specdb::MsMs 106819 Specdb::MsMs 106820 Specdb::MsMs 173652 Specdb::MsMs 173653 Specdb::MsMs 173654 Specdb::MsMs 3604079 Specdb::MsMs 3604080 Specdb::MsMs 3604081 Specdb::MsMs 3604082 Specdb::MsMs 3604083 Specdb::MsMs 3604084 Specdb::NmrOneD 309211 Specdb::NmrOneD 309212 Specdb::NmrOneD 309213 Specdb::NmrOneD 309214 Specdb::NmrOneD 309215 Specdb::NmrOneD 309216 Specdb::NmrOneD 309217 Specdb::NmrOneD 309218 Specdb::NmrOneD 309219 Specdb::NmrOneD 309220 Specdb::NmrOneD 309221 Specdb::NmrOneD 309222 Specdb::NmrOneD 309223 Specdb::NmrOneD 309224 Specdb::NmrOneD 309225 Specdb::NmrOneD 309226 Specdb::NmrOneD 309227 Specdb::NmrOneD 309228 Specdb::NmrOneD 309229 Specdb::NmrOneD 309230 Common grape Type 1 specific Vitis vinifera 29760