1.0 2010-04-08 22:05:03 UTC 2019-11-26 02:56:38 UTC FDB001660 (1R,2R,4R,5S)-(+)-p-Menthane-2,5-diol (1r,2r,4r,5s)-(+)-p-menthane-2,5-diol is a member of the class of compounds known as cyclohexanols. Cyclohexanols are compounds containing an alcohol group attached to a cyclohexane ring (1r,2r,4r,5s)-(+)-p-menthane-2,5-diol is soluble (in water) and a very weakly acidic compound (based on its pKa). (1r,2r,4r,5s)-(+)-p-menthane-2,5-diol can be found in cornmint, which makes (1r,2r,4r,5s)-(+)-p-menthane-2,5-diol a potential biomarker for the consumption of this food product. C9H18O3 174.2374 174.125594442 (1R,2R,4S,5R)-5-(propan-2-yl)cyclohexane-1,2,4-triol (1R,2R,4S,5R)-5-isopropylcyclohexane-1,2,4-triol 27525-58-2 CC(C)[C@H]1C[C@@H](O)[C@H](O)C[C@@H]1O InChI=1S/C9H18O3/c1-5(2)6-3-8(11)9(12)4-7(6)10/h5-12H,3-4H2,1-2H3/t6-,7+,8-,9-/m1/s1 OBMLZGDTTDRNLZ-BZNPZCIMSA-N belongs to the class of organic compounds known as cyclohexanols. Cyclohexanols are compounds containing an alcohol group attached to a cyclohexane ring. Cyclohexanols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic homomonocyclic compounds Cyclitols and derivatives Hydrocarbon derivatives Polyols Aliphatic homomonocyclic compound Cyclic alcohol Cyclitol or derivatives Cyclohexanol Hydrocarbon derivative Polyol logp -0.29 ALOGPS logs 0.05 ALOGPS solubility 1.97e+02 g/l ALOGPS logp -0.16 ChemAxon pka_strongest_acidic 13.81 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac (1R,2R,4S,5R)-5-(propan-2-yl)cyclohexane-1,2,4-triol ChemAxon average_mass 174.2374 ChemAxon mono_mass 174.125594442 ChemAxon smiles CC(C)[C@H]1C[C@@H](O)[C@H](O)C[C@@H]1O ChemAxon formula C9H18O3 ChemAxon inchi InChI=1S/C9H18O3/c1-5(2)6-3-8(11)9(12)4-7(6)10/h5-12H,3-4H2,1-2H3/t6-,7+,8-,9-/m1/s1 ChemAxon inchikey OBMLZGDTTDRNLZ-BZNPZCIMSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 45.88 ChemAxon polarizability 19.44 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 66951 Specdb::MsMs 66952 Specdb::MsMs 66953 Specdb::MsMs 124656 Specdb::MsMs 124657 Specdb::MsMs 124658 Specdb::MsMs 3598019 Specdb::MsMs 3598020 Specdb::MsMs 3598021 Specdb::MsMs 3598987 Specdb::MsMs 3598988 Specdb::MsMs 3598989 Cornmint Type 1 specific Mentha arvensis 292239