1.0 2010-04-08 22:06:14 UTC 2025-11-18 22:56:10 UTC FDB004413 (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. C10H18O2 170.252 170.13067982 2,6-dimethylocta-3,7-diene-2,6-diol 2,6-dimethylocta-3,7-diene-2,6-diol CC(C)(O)C=CCC(C)(O)C=C InChI=1S/C10H18O2/c1-5-10(4,12)8-6-7-9(2,3)11/h5-7,11-12H,1,8H2,2-4H3 QEOHJVNDENHRCH-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 alcohols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic acyclic compounds Hydrocarbon derivatives Aliphatic acyclic compound Hydrocarbon derivative Tertiary alcohol logp 1.62 ALOGPS logs -1.87 ALOGPS solubility 2.32e+00 g/l ALOGPS logp 1.38 ChemAxon pka_strongest_acidic 17.78 ChemAxon pka_strongest_basic -1.2 ChemAxon iupac 2,6-dimethylocta-3,7-diene-2,6-diol ChemAxon average_mass 170.252 ChemAxon mono_mass 170.13067982 ChemAxon smiles CC(C)(O)C=CCC(C)(O)C=C ChemAxon formula C10H18O2 ChemAxon inchi InChI=1S/C10H18O2/c1-5-10(4,12)8-6-7-9(2,3)11/h5-7,11-12H,1,8H2,2-4H3 ChemAxon inchikey QEOHJVNDENHRCH-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 52.16 ChemAxon polarizability 19.82 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5555 Specdb::NmrOneD 301785 Specdb::NmrOneD 301786 Specdb::NmrOneD 301787 Specdb::NmrOneD 301788 Specdb::NmrOneD 301789 Specdb::NmrOneD 301790 Specdb::NmrOneD 301791 Specdb::NmrOneD 301792 Specdb::NmrOneD 301793 Specdb::NmrOneD 301794 Specdb::NmrOneD 301795 Specdb::NmrOneD 301796 Specdb::NmrOneD 301797 Specdb::NmrOneD 301798 Specdb::NmrOneD 301799 Specdb::NmrOneD 301800 Specdb::NmrOneD 301801 Specdb::NmrOneD 301802 Specdb::NmrOneD 301803 Specdb::NmrOneD 301804 Specdb::MsMs 56667 Specdb::MsMs 56668 Specdb::MsMs 56669 Specdb::MsMs 112155 Specdb::MsMs 112156 Specdb::MsMs 112157 Specdb::MsMs 3600461 Specdb::MsMs 3600462 Specdb::MsMs 3600463 Specdb::MsMs 3600464 Specdb::MsMs 3600465 Specdb::MsMs 3600466 Black tea Type 1 Grape Type 1 specific Vitis 3603 Grape wine Type 2 specific Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442