1.0 2010-04-08 22:15:18 UTC 2025-11-19 02:34:10 UTC FDB020863 Vulgarolide Constituent of Tanacetum vulgare (tansy). Vulgarolide is found in herbs and spices. C15H20O5 280.3163 280.13107375 14-hydroxy-11-methyl-5-methylidene-3,15-dioxatricyclo[9.4.0.0²,⁶]pentadecane-4,9-dione 14-hydroxy-11-methyl-5-methylidene-3,15-dioxatricyclo[9.4.0.0²,⁶]pentadecane-4,9-dione 120674-40-0 CC12CCC(O)OC1C1OC(=O)C(=C)C1CCC(=O)C2 InChI=1S/C15H20O5/c1-8-10-4-3-9(16)7-15(2)6-5-11(17)19-13(15)12(10)20-14(8)18/h10-13,17H,1,3-7H2,2H3 LBKCMFUBEOROEX-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 ketones Enoate esters Gamma butyrolactones Hemiacetals Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Tetrahydrofurans Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic ketone Enoate ester Gamma butyrolactone Hemiacetal Hydrocarbon derivative Ketone Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxane Tetrahydrofuran logp 0.23 ALOGPS logs -1.52 ALOGPS solubility 8.44e+00 g/l ALOGPS logp 1.52 ChemAxon pka_strongest_acidic 12.46 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 14-hydroxy-11-methyl-5-methylidene-3,15-dioxatricyclo[9.4.0.0²,⁶]pentadecane-4,9-dione ChemAxon average_mass 280.3163 ChemAxon mono_mass 280.13107375 ChemAxon smiles CC12CCC(O)OC1C1OC(=O)C(=C)C1CCC(=O)C2 ChemAxon formula C15H20O5 ChemAxon inchi InChI=1S/C15H20O5/c1-8-10-4-3-9(16)7-15(2)6-5-11(17)19-13(15)12(10)20-14(8)18/h10-13,17H,1,3-7H2,2H3 ChemAxon inchikey LBKCMFUBEOROEX-UHFFFAOYSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 69.73 ChemAxon polarizability 28.95 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15281 Specdb::CMs 47062 Specdb::CMs 161963 Specdb::MsMs 299905 Specdb::MsMs 299906 Specdb::MsMs 299907 Specdb::MsMs 342043 Specdb::MsMs 342044 Specdb::MsMs 342045 Specdb::MsMs 2724962 Specdb::MsMs 2724963 Specdb::MsMs 2724964 Specdb::MsMs 2957340 Specdb::MsMs 2957341 Specdb::MsMs 2957342 Specdb::NmrOneD 44442 Specdb::NmrOneD 44443 Specdb::NmrOneD 44444 Specdb::NmrOneD 44445 Specdb::NmrOneD 44446 Specdb::NmrOneD 44447 Specdb::NmrOneD 44448 Specdb::NmrOneD 44449 Specdb::NmrOneD 44450 Specdb::NmrOneD 44451 Specdb::NmrOneD 44452 Specdb::NmrOneD 44453 Specdb::NmrOneD 44454 Specdb::NmrOneD 44455 Specdb::NmrOneD 44456 Specdb::NmrOneD 44457 Specdb::NmrOneD 44458 Specdb::NmrOneD 44459 Specdb::NmrOneD 44460 Specdb::NmrOneD 44461 HMDB41003 #<Reference:0x000055ce316a8510> Herbs and Spices Unknown generic