1.02010-04-08 22:06:14 UTC2019-11-26 03:00:00 UTCFDB004413(3S),7-Dimethylocta-1,5-dien-3,7-diol(+)-(3s)-3,7-dimethyl-1,5-octadiene-3,7-diol is a member of the class of compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ) (+)-(3s)-3,7-dimethyl-1,5-octadiene-3,7-diol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). (+)-(3s)-3,7-dimethyl-1,5-octadiene-3,7-diol can be found in tea, which makes (+)-(3s)-3,7-dimethyl-1,5-octadiene-3,7-diol a potential biomarker for the consumption of this food product. C10H18O2170.252170.130679822,6-dimethylocta-3,7-diene-2,6-diol2,6-dimethylocta-3,7-diene-2,6-diolCC(C)(O)C=CCC(C)(O)C=CInChI=1S/C10H18O2/c1-5-10(4,12)8-6-7-9(2,3)11/h5-7,11-12H,1,8H2,2-4H3QEOHJVNDENHRCH-UHFFFAOYSA-N belongs to the class of organic compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).Tertiary alcoholsOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsAlcohols and polyolsAliphatic acyclic compoundsHydrocarbon derivativesAliphatic acyclic compoundHydrocarbon derivativeTertiary alcohollogp1.62logs-1.87solubility2.32e+00 g/llogp1.38pka_strongest_acidic17.78pka_strongest_basic-1.2iupac2,6-dimethylocta-3,7-diene-2,6-diolaverage_mass170.252mono_mass170.13067982smilesCC(C)(O)C=CCC(C)(O)C=CformulaC10H18O2inchiInChI=1S/C10H18O2/c1-5-10(4,12)8-6-7-9(2,3)11/h5-7,11-12H,1,8H2,2-4H3inchikeyQEOHJVNDENHRCH-UHFFFAOYSA-Npolar_surface_area40.46refractivity52.16polarizability19.82rotatable_bond_count4acceptor_count2donor_count2physiological_charge0formal_charge0Specdb::CMs5555Specdb::NmrOneD301785Specdb::NmrOneD301786Specdb::NmrOneD301787Specdb::NmrOneD301788Specdb::NmrOneD301789Specdb::NmrOneD301790Specdb::NmrOneD301791Specdb::NmrOneD301792Specdb::NmrOneD301793Specdb::NmrOneD301794Specdb::NmrOneD301795Specdb::NmrOneD301796Specdb::NmrOneD301797Specdb::NmrOneD301798Specdb::NmrOneD301799Specdb::NmrOneD301800Specdb::NmrOneD301801Specdb::NmrOneD301802Specdb::NmrOneD301803Specdb::NmrOneD301804Specdb::MsMs56667Specdb::MsMs56668Specdb::MsMs56669Specdb::MsMs112155Specdb::MsMs112156Specdb::MsMs112157Specdb::MsMs3600461Specdb::MsMs3600462Specdb::MsMs3600463Specdb::MsMs3600464Specdb::MsMs3600465Specdb::MsMs3600466Black teaType 1GrapeType 1specificVitis3603Grape wineType 2specificGreen teaType 1Herbal teaType 1Red teaType 1TeaType 1specificCamellia sinensis4442