1.0 2010-04-08 22:09:25 UTC 2025-11-18 23:23:50 UTC FDB011000 (1S,2S,4S,5R)-1,8-Epoxy-p-menthane-2,5-diol Constituent of Foeniculum vulgare (fennel). (1S,2S,4S,5R)-1,8-Epoxy-p-menthane-2,5-diol is found in herbs and spices. C10H18O3 186.2481 186.125594442 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-5,7-diol 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-5,7-diol 219546-83-5 CC1(C)OC2(C)CC(O)C1CC2O InChI=1S/C10H18O3/c1-9(2)6-4-8(12)10(3,13-9)5-7(6)11/h6-8,11-12H,4-5H2,1-3H3 RLNNVCTYJJOQLN-UHFFFAOYSA-N belongs to the class of organic compounds known as oxanes. Oxanes are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms. Oxanes Organic compounds Organoheterocyclic compounds Oxanes Aliphatic heteropolycyclic compounds Cyclic alcohols and derivatives Dialkyl ethers Hydrocarbon derivatives Oxacyclic compounds Secondary alcohols Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Oxane Secondary alcohol logp 0.65 ALOGPS logs -0.25 ALOGPS solubility 1.06e+02 g/l ALOGPS logp -0.14 ChemAxon pka_strongest_acidic 13.91 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-5,7-diol ChemAxon average_mass 186.2481 ChemAxon mono_mass 186.125594442 ChemAxon smiles CC1(C)OC2(C)CC(O)C1CC2O ChemAxon formula C10H18O3 ChemAxon inchi InChI=1S/C10H18O3/c1-9(2)6-4-8(12)10(3,13-9)5-7(6)11/h6-8,11-12H,4-5H2,1-3H3 ChemAxon inchikey RLNNVCTYJJOQLN-UHFFFAOYSA-N ChemAxon polar_surface_area 49.69 ChemAxon refractivity 48.75 ChemAxon polarizability 20.11 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20610 Specdb::CMs 43053 Specdb::CMs 161552 Specdb::MsMs 106479 Specdb::MsMs 106480 Specdb::MsMs 106481 Specdb::MsMs 173247 Specdb::MsMs 173248 Specdb::MsMs 173249 Specdb::MsMs 2267556 Specdb::MsMs 2267557 Specdb::MsMs 2267558 Specdb::MsMs 3071616 Specdb::MsMs 3071617 Specdb::MsMs 3071618 Specdb::NmrOneD 117438 Specdb::NmrOneD 117439 Specdb::NmrOneD 117440 Specdb::NmrOneD 117441 Specdb::NmrOneD 117442 Specdb::NmrOneD 117443 Specdb::NmrOneD 117444 Specdb::NmrOneD 117445 Specdb::NmrOneD 117446 Specdb::NmrOneD 117447 Specdb::NmrOneD 117448 Specdb::NmrOneD 117449 Specdb::NmrOneD 117450 Specdb::NmrOneD 117451 Specdb::NmrOneD 117452 Specdb::NmrOneD 117453 Specdb::NmrOneD 117454 Specdb::NmrOneD 117455 Specdb::NmrOneD 117456 Specdb::NmrOneD 117457 HMDB0033010 Herbs and Spices Unknown generic