1.0 2010-04-08 22:07:29 UTC 2019-11-26 03:01:33 UTC FDB007193 4,4-Dimethyltricyclo[6.3.2.0]-trideca-8-ene-1-ol 4,4-dimethyltricyclo[6.3.2.0]-trideca-8-ene-1-ol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 4,4-dimethyltricyclo[6.3.2.0]-trideca-8-ene-1-ol can be found in cloves, which makes 4,4-dimethyltricyclo[6.3.2.0]-trideca-8-ene-1-ol a potential biomarker for the consumption of this food product. C15H24O 220.3505 220.18271539 (2S,4S)-4,5-dimethyltricyclo[6.3.2.0²,⁵]tridec-8-en-1-ol (2S,4S)-4,5-dimethyltricyclo[6.3.2.0²,⁵]tridec-8-en-1-ol [H][C@]1(C)C[C@@]2([H])C1(C)CCC1=CCCC2(O)CC1 InChI=1S/C15H24O/c1-11-10-13-14(11,2)8-5-12-4-3-7-15(13,16)9-6-12/h4,11,13,16H,3,5-10H2,1-2H3/t11-,13-,14?,15?/m0/s1 AQWYRDGVUURYEI-UJHNXHIOSA-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 homopolycyclic compounds Hydrocarbon derivatives Aliphatic homopolycyclic compound Hydrocarbon derivative Tertiary alcohol logp 3.74 ALOGPS logs -3.51 ALOGPS solubility 6.76e-02 g/l ALOGPS logp 3.17 ChemAxon pka_strongest_basic -0.12 ChemAxon iupac (2S,4S)-4,5-dimethyltricyclo[6.3.2.0²,⁵]tridec-8-en-1-ol ChemAxon average_mass 220.3505 ChemAxon mono_mass 220.18271539 ChemAxon smiles [H][C@]1(C)C[C@@]2([H])C1(C)CCC1=CCCC2(O)CC1 ChemAxon formula C15H24O ChemAxon inchi InChI=1S/C15H24O/c1-11-10-13-14(11,2)8-5-12-4-3-7-15(13,16)9-6-12/h4,11,13,16H,3,5-10H2,1-2H3/t11-,13-,14?,15?/m0/s1 ChemAxon inchikey AQWYRDGVUURYEI-UJHNXHIOSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 67.48 ChemAxon polarizability 26.23 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 93864 Specdb::MsMs 93865 Specdb::MsMs 93866 Specdb::MsMs 157725 Specdb::MsMs 157726 Specdb::MsMs 157727 Specdb::MsMs 3603779 Specdb::MsMs 3603780 Specdb::MsMs 3603781 Specdb::MsMs 3603782 Specdb::MsMs 3603783 Specdb::MsMs 3603784 Cloves Type 1 specific Syzygium aromaticum 219868