1.0 2010-04-08 22:13:09 UTC 2019-11-26 03:14:56 UTC FDB017544 xi-Pinol Isolated from lime oil (Citrus aurantifolia). xi-Pinol is found in citrus. C10H16O 152.2334 152.120115134 4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene pinol CC1=CCC2CC1OC2(C)C InChI=1S/C10H16O/c1-7-4-5-8-6-9(7)11-10(8,2)3/h4,8-9H,5-6H2,1-3H3 SKBXVAOMEVOTGJ-UHFFFAOYSA-N belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen. Tetrahydrofurans Organic compounds Organoheterocyclic compounds Tetrahydrofurans Aliphatic heteropolycyclic compounds Dialkyl ethers Hydrocarbon derivatives Oxacyclic compounds Aliphatic heteropolycyclic compound Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Tetrahydrofuran logp 3.09 ALOGPS logs -2.24 ALOGPS solubility 8.77e-01 g/l ALOGPS logp 2.11 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene ChemAxon average_mass 152.2334 ChemAxon mono_mass 152.120115134 ChemAxon smiles CC1=CCC2CC1OC2(C)C ChemAxon formula C10H16O ChemAxon inchi InChI=1S/C10H16O/c1-7-4-5-8-6-9(7)11-10(8,2)3/h4,8-9H,5-6H2,1-3H3 ChemAxon inchikey SKBXVAOMEVOTGJ-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 46.47 ChemAxon polarizability 17.95 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7847 Specdb::MsIr 7848 Specdb::CMs 13185 Specdb::CMs 156058 Specdb::MsMs 101031 Specdb::MsMs 101032 Specdb::MsMs 101033 Specdb::MsMs 166530 Specdb::MsMs 166531 Specdb::MsMs 166532 Specdb::MsMs 2379681 Specdb::MsMs 2379682 Specdb::MsMs 2379683 Specdb::MsMs 2558568 Specdb::MsMs 2558569 Specdb::MsMs 2558570 HMDB38251 #<Reference:0x000055ce33622260> Citrus Unknown generic