1.0 2010-04-08 22:11:16 UTC 2019-11-26 03:10:04 UTC FDB014447 (1R,2S,3S,4R)-p-Menthane-2,3-diol Isolated from peppermint oil. (1R,2S,3S,4R)-p-Menthane-2,3-diol is found in herbs and spices. C10H20O2 172.2646 172.146329884 3-methyl-6-(propan-2-yl)cyclohexane-1,2-diol 3-isopropyl-6-methylcyclohexane-1,2-diol 51745-21-2 CC(C)C1CCC(C)C(O)C1O InChI=1S/C10H20O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6-12H,4-5H2,1-3H3 WQFGPARDTSBVLU-UHFFFAOYSA-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 1,2-diols Cyclic alcohols and derivatives Cyclohexanols Hydrocarbon derivatives Monocyclic monoterpenoids 1,2-diol Alcohol Aliphatic homomonocyclic compound Cyclic alcohol Cyclohexanol Hydrocarbon derivative Monocyclic monoterpenoid Organic oxygen compound Organooxygen compound P-menthane monoterpenoid Secondary alcohol logp 1.37 ALOGPS logs -0.96 ALOGPS solubility 1.91e+01 g/l ALOGPS logp 1.67 ChemAxon pka_strongest_acidic 13.66 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 3-methyl-6-(propan-2-yl)cyclohexane-1,2-diol ChemAxon average_mass 172.2646 ChemAxon mono_mass 172.146329884 ChemAxon smiles CC(C)C1CCC(C)C(O)C1O ChemAxon formula C10H20O2 ChemAxon inchi InChI=1S/C10H20O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6-12H,4-5H2,1-3H3 ChemAxon inchikey WQFGPARDTSBVLU-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 48.73 ChemAxon polarizability 20.48 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 132438 Specdb::NmrOneD 132439 Specdb::NmrOneD 132440 Specdb::NmrOneD 132441 Specdb::NmrOneD 132442 Specdb::NmrOneD 132443 Specdb::NmrOneD 132444 Specdb::NmrOneD 132445 Specdb::NmrOneD 132446 Specdb::NmrOneD 132447 Specdb::NmrOneD 132448 Specdb::NmrOneD 132449 Specdb::NmrOneD 132450 Specdb::NmrOneD 132451 Specdb::NmrOneD 132452 Specdb::NmrOneD 132453 Specdb::NmrOneD 132454 Specdb::NmrOneD 132455 Specdb::NmrOneD 132456 Specdb::NmrOneD 132457 Specdb::MsMs 80943 Specdb::MsMs 80944 Specdb::MsMs 80945 Specdb::MsMs 141933 Specdb::MsMs 141934 Specdb::MsMs 141935 Specdb::MsMs 2464320 Specdb::MsMs 2464321 Specdb::MsMs 2464322 Specdb::MsMs 2500730 Specdb::MsMs 2500731 Specdb::MsMs 2500732 Specdb::CMs 20117 Specdb::CMs 44526 Specdb::CMs 172933 HMDB35723 #<Reference:0x000055ce31e96718> Herbs and Spices Unknown generic