1.0 2010-04-08 22:12:11 UTC 2019-11-26 03:12:37 UTC FDB016020 Cyclodehydroisolubimin Constituent of potatoes infected with Phytophthora infestans. Cyclodehydroisolubimin is found in alcoholic beverages and potato. 4,10-Epoxy-11-spirovetiven-2-one Sulfonium, dodecyldimethyl- iodide C15H22O2 234.334 234.161979948 5-methyl-4'-(prop-1-en-2-yl)-6-oxaspiro[bicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one 5-methyl-4'-(prop-1-en-2-yl)-6-oxaspiro[bicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one 72055-93-7 CC(=C)C1CCC2(C1)C1COC2(C)CC(=O)C1 InChI=1S/C15H22O2/c1-10(2)11-4-5-15(7-11)12-6-13(16)8-14(15,3)17-9-12/h11-12H,1,4-9H2,2-3H3 YHIWYGHFGRMQMO-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 ketones Dialkyl ethers Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxepanes Tetrahydrofurans Aliphatic heteropolycyclic compound Bicyclic monoterpenoid Carbonyl group Cyclic ketone Dialkyl ether Ether Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxepane Tetrahydrofuran logp 2.59 ALOGPS logs -3.54 ALOGPS solubility 6.70e-02 g/l ALOGPS logp 2.47 ChemAxon pka_strongest_acidic 18.25 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 5-methyl-4'-(prop-1-en-2-yl)-6-oxaspiro[bicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one ChemAxon average_mass 234.334 ChemAxon mono_mass 234.161979948 ChemAxon smiles CC(=C)C1CCC2(C1)C1COC2(C)CC(=O)C1 ChemAxon formula C15H22O2 ChemAxon inchi InChI=1S/C15H22O2/c1-10(2)11-4-5-15(7-11)12-6-13(16)8-14(15,3)17-9-12/h11-12H,1,4-9H2,2-3H3 ChemAxon inchikey YHIWYGHFGRMQMO-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 67.04 ChemAxon polarizability 26.75 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22317 Specdb::CMs 173548 Specdb::MsMs 75225 Specdb::MsMs 75226 Specdb::MsMs 75227 Specdb::MsMs 134829 Specdb::MsMs 134830 Specdb::MsMs 134831 Specdb::MsMs 2709665 Specdb::MsMs 2709666 Specdb::MsMs 2709667 Specdb::MsMs 2996042 Specdb::MsMs 2996043 Specdb::MsMs 2996044 HMDB37038 #<Reference:0x00007f093c078b30> Alcoholic beverages Unknown generic Potato Type 1 specific Solanum tuberosum 4113 0.07 0.07 0.07 mg/100 g