1.0 2010-04-08 22:06:58 UTC 2019-11-26 03:00:57 UTC FDB006065 p-Menthan-trans-2,5-diol P-menthan-trans-2,5-diol is soluble (in water) and a very weakly acidic compound (based on its pKa). P-menthan-trans-2,5-diol can be found in cornmint, which makes P-menthan-trans-2,5-diol a potential biomarker for the consumption of this food product. C10H20O2 172.2646 172.146329884 (2R,5R)-2-methyl-5-(propan-2-yl)cyclohexane-1,4-diol (2R,5R)-2-isopropyl-5-methylcyclohexane-1,4-diol CC(C)[C@H]1CC(O)[C@H](C)CC1O InChI=1S/C10H20O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h6-12H,4-5H2,1-3H3/t7-,8-,9?,10?/m1/s1 TXISQGBRDPUIBI-LGUIWLBCSA-N belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Menthane monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homomonocyclic compounds Cyclic alcohols and derivatives Cyclohexanols Hydrocarbon derivatives Monocyclic monoterpenoids Alcohol Aliphatic homomonocyclic compound Cyclic alcohol Cyclohexanol Hydrocarbon derivative Monocyclic monoterpenoid Organic oxygen compound Organooxygen compound P-menthane monoterpenoid Secondary alcohol logp 1.23 ALOGPS logs -0.91 ALOGPS solubility 2.13e+01 g/l ALOGPS logp 1.36 ChemAxon pka_strongest_acidic 14.63 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac (2R,5R)-2-methyl-5-(propan-2-yl)cyclohexane-1,4-diol ChemAxon average_mass 172.2646 ChemAxon mono_mass 172.146329884 ChemAxon smiles CC(C)[C@H]1CC(O)[C@H](C)CC1O ChemAxon formula C10H20O2 ChemAxon inchi InChI=1S/C10H20O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h6-12H,4-5H2,1-3H3/t7-,8-,9?,10?/m1/s1 ChemAxon inchikey TXISQGBRDPUIBI-LGUIWLBCSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 49.04 ChemAxon polarizability 20.53 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 48504 Specdb::MsMs 48505 Specdb::MsMs 48506 Specdb::MsMs 160233 Specdb::MsMs 160234 Specdb::MsMs 160235 Specdb::MsMs 3602480 Specdb::MsMs 3602481 Specdb::MsMs 3602482 Specdb::MsMs 3602483 Specdb::MsMs 3602484 Specdb::MsMs 3602485 Cornmint Type 1 specific Mentha arvensis 292239