1.0 2010-04-08 22:10:42 UTC 2025-11-18 23:44:31 UTC FDB013425 (7E,11E)-2-(5-Methylsulfinyl-2-pentyn-4-enylidene)-1,6-dioxaspiro[4.4]non-3-ene Isolated from Chrysanthemum coronarium (chop-suey greens). (7E,11E)-2-(5-Methylsulfinyl-2-pentyn-4-enylidene)-1,6-dioxaspiro[4.4]non-3-ene is found in herbs and spices. Vernolide C13H14O3S 250.313 250.066365004 (2E)-2-[(4Z)-5-methanesulfinylpent-4-en-2-yn-1-ylidene]-1,6-dioxaspiro[4.4]non-3-ene (2E)-2-[(4Z)-5-methanesulfinylpent-4-en-2-yn-1-ylidene]-1,6-dioxaspiro[4.4]non-3-ene 124460-81-7 CS(=O)\C=C/C#C\C=C1\OC2(CCCO2)C=C1 InChI=1S/C13H14O3S/c1-17(14)11-4-2-3-6-12-7-9-13(16-12)8-5-10-15-13/h4,6-7,9,11H,5,8,10H2,1H3/b11-4-,12-6+ HGPOBYCDHSNTNP-QFQHGIJPSA-N belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals. Ketals Organic compounds Organic oxygen compounds Organooxygen compounds Ethers Aliphatic heteropolycyclic compounds Dihydrofurans Hydrocarbon derivatives Organic oxides Oxacyclic compounds Sulfinyl compounds Sulfoxides Tetrahydrofurans Aliphatic heteropolycyclic compound Dihydrofuran Hydrocarbon derivative Ketal Organic oxide Organoheterocyclic compound Organosulfur compound Oxacycle Sulfinyl compound Sulfoxide Tetrahydrofuran logp 2.02 ALOGPS logs -3.16 ALOGPS solubility 1.74e-01 g/l ALOGPS logp 0.61 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2E)-2-[(4Z)-5-methanesulfinylpent-4-en-2-yn-1-ylidene]-1,6-dioxaspiro[4.4]non-3-ene ChemAxon average_mass 250.313 ChemAxon mono_mass 250.066365004 ChemAxon smiles CS(=O)\C=C/C#C\C=C1\OC2(CCCO2)C=C1 ChemAxon formula C13H14O3S ChemAxon inchi InChI=1S/C13H14O3S/c1-17(14)11-4-2-3-6-12-7-9-13(16-12)8-5-10-15-13/h4,6-7,9,11H,5,8,10H2,1H3/b11-4-,12-6+ ChemAxon inchikey HGPOBYCDHSNTNP-QFQHGIJPSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 73 ChemAxon polarizability 26.51 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19427 Specdb::CMs 157707 Specdb::MsMs 102861 Specdb::MsMs 102862 Specdb::MsMs 102863 Specdb::MsMs 168747 Specdb::MsMs 168748 Specdb::MsMs 168749 Specdb::MsMs 2683776 Specdb::MsMs 2683777 Specdb::MsMs 2683778 Specdb::MsMs 3022053 Specdb::MsMs 3022054 Specdb::MsMs 3022055 HMDB0032670 Herbs and Spices Unknown generic