1.0 2010-04-08 22:15:45 UTC 2025-11-19 02:38:22 UTC FDB021525 (1R,2R,4R)-1,8-Epoxy-p-menthane-2,4-diol Constituent of Foeniculum vulgare (fennel). (1R,2R,4R)-1,8-Epoxy-p-menthane-2,4-diol is found in herbs and spices. C10H18O3 186.2481 186.125594442 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol 176896-61-0 CC1(C)OC2(C)CCC1(O)CC2O InChI=1S/C10H18O3/c1-8(2)10(12)5-4-9(3,13-8)7(11)6-10/h7,11-12H,4-6H2,1-3H3 PEWQMISWINPIPZ-UHFFFAOYSA-N belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Bicyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic heteropolycyclic compounds Cyclic alcohols and derivatives Dialkyl ethers Hydrocarbon derivatives Menthane monoterpenoids Monosaccharides Oxacyclic compounds Oxanes Secondary alcohols Tertiary alcohols Alcohol Aliphatic heteropolycyclic compound Bicyclic monoterpenoid Cyclic alcohol Dialkyl ether Ether Hydrocarbon derivative Monosaccharide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane P-menthane monoterpenoid Secondary alcohol Tertiary alcohol logp 0.60 ALOGPS logs -0.46 ALOGPS solubility 6.44e+01 g/l ALOGPS melting_point Mp 158-159° logp 0.12 ChemAxon pka_strongest_acidic 13.42 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol ChemAxon average_mass 186.2481 ChemAxon mono_mass 186.125594442 ChemAxon smiles CC1(C)OC2(C)CCC1(O)CC2O ChemAxon formula C10H18O3 ChemAxon inchi InChI=1S/C10H18O3/c1-8(2)10(12)5-4-9(3,13-8)7(11)6-10/h7,11-12H,4-6H2,1-3H3 ChemAxon inchikey PEWQMISWINPIPZ-UHFFFAOYSA-N ChemAxon polar_surface_area 49.69 ChemAxon refractivity 48.63 ChemAxon polarizability 20.15 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19216 Specdb::CMs 47378 Specdb::CMs 130664 Specdb::CMs 138398 Specdb::NmrOneD 47362 Specdb::NmrOneD 47363 Specdb::NmrOneD 47364 Specdb::NmrOneD 47365 Specdb::NmrOneD 47366 Specdb::NmrOneD 47367 Specdb::NmrOneD 47368 Specdb::NmrOneD 47369 Specdb::NmrOneD 47370 Specdb::NmrOneD 47371 Specdb::NmrOneD 47372 Specdb::NmrOneD 47373 Specdb::NmrOneD 47374 Specdb::NmrOneD 47375 Specdb::NmrOneD 47376 Specdb::NmrOneD 47377 Specdb::NmrOneD 47378 Specdb::NmrOneD 47379 Specdb::NmrOneD 47380 Specdb::NmrOneD 47381 Specdb::MsMs 13091 Specdb::MsMs 13092 Specdb::MsMs 13093 Specdb::MsMs 19763 Specdb::MsMs 19764 Specdb::MsMs 19765 Specdb::MsMs 2406323 Specdb::MsMs 2406324 Specdb::MsMs 2406325 Specdb::MsMs 2529936 Specdb::MsMs 2529937 Specdb::MsMs 2529938 HMDB0041545 Herbs and Spices Unknown generic