1.0 2010-04-08 22:10:52 UTC 2019-11-26 03:08:54 UTC FDB013712 Vulgarole Constituent of oil of Artemisia vulgaris (mugwort). Vulgarole is found in mugwort. Vulgarole Vulgarole? C12H20O3 212.2854 212.141244506 3-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetate 3-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetate 61586-52-5 CC(=O)OC1C(O)C2CCC1(C)C2(C)C InChI=1S/C12H20O3/c1-7(13)15-10-9(14)8-5-6-12(10,4)11(8,2)3/h8-10,14H,5-6H2,1-4H3 QRRSWTCVSAQEPQ-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 homopolycyclic compounds Carbonyl compounds Carboxylic acid esters Cyclic alcohols and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Alcohol Aliphatic homopolycyclic compound Bicyclic monoterpenoid Bornane monoterpenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol logp 2.02 ALOGPS logs -2.01 ALOGPS solubility 2.05e+00 g/l ALOGPS logp 1.43 ChemAxon pka_strongest_acidic 13.9 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 3-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetate ChemAxon average_mass 212.2854 ChemAxon mono_mass 212.141244506 ChemAxon smiles CC(=O)OC1C(O)C2CCC1(C)C2(C)C ChemAxon formula C12H20O3 ChemAxon inchi InChI=1S/C12H20O3/c1-7(13)15-10-9(14)8-5-6-12(10,4)11(8,2)3/h8-10,14H,5-6H2,1-4H3 ChemAxon inchikey QRRSWTCVSAQEPQ-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 55.75 ChemAxon polarizability 23.4 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12315 Specdb::CMs 44179 Specdb::CMs 161817 Specdb::MsMs 8618 Specdb::MsMs 8619 Specdb::MsMs 8620 Specdb::MsMs 15290 Specdb::MsMs 15291 Specdb::MsMs 15292 Specdb::MsMs 2664169 Specdb::MsMs 2664170 Specdb::MsMs 2664171 Specdb::MsMs 3017286 Specdb::MsMs 3017287 Specdb::MsMs 3017288 HMDB35085 #<Reference:0x000055ce3277db88> Mugwort Type 1 specific Artemisia vulgaris 4220