1.0 2010-04-08 22:04:38 UTC 2020-02-24 19:10:10 UTC FDB000592 Isodillapiole Present in Crithmum maritimum (rock samphire). Isodillapiole is found in dill and green vegetables. 4,5-Dimethoxy-6-(1-propenyl)-1,3-benzodioxole, 9CI Isodillapiole C12H14O4 222.2372 222.089208936 4,5-dimethoxy-6-[(1E)-prop-1-en-1-yl]-2H-1,3-benzodioxole 4,5-dimethoxy-6-[(1E)-prop-1-en-1-yl]-2H-1,3-benzodioxole 23731-63-7 COC1=C(OC)C(\C=C\C)=CC2=C1OCO2 InChI=1S/C12H14O4/c1-4-5-8-6-9-11(16-7-15-9)12(14-3)10(8)13-2/h4-6H,7H2,1-3H3/b5-4+ OEDZKYGAFWDLGE-SNAWJCMRSA-N belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. Benzodioxoles Organic compounds Organoheterocyclic compounds Benzodioxoles Aromatic heteropolycyclic compounds Acetals Alkyl aryl ethers Anisoles Hydrocarbon derivatives Oxacyclic compounds Styrenes Acetal Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzodioxole Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Styrene logp 2.33 ALOGPS logs -2.65 ALOGPS solubility 5.01e-01 g/l ALOGPS melting_point Mp 55-56° logp 2.4 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 4,5-dimethoxy-6-[(1E)-prop-1-en-1-yl]-2H-1,3-benzodioxole ChemAxon average_mass 222.2372 ChemAxon mono_mass 222.089208936 ChemAxon smiles COC1=C(OC)C(\C=C\C)=CC2=C1OCO2 ChemAxon formula C12H14O4 ChemAxon inchi InChI=1S/C12H14O4/c1-4-5-8-6-9-11(16-7-15-9)12(14-3)10(8)13-2/h4-6H,7H2,1-3H3/b5-4+ ChemAxon inchikey OEDZKYGAFWDLGE-SNAWJCMRSA-N ChemAxon polar_surface_area 36.92 ChemAxon refractivity 60.11 ChemAxon polarizability 23.46 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18907 Specdb::CMs 135726 Specdb::CMs 143460 Specdb::MsMs 80814 Specdb::MsMs 80815 Specdb::MsMs 80816 Specdb::MsMs 141777 Specdb::MsMs 141778 Specdb::MsMs 141779 Specdb::MsMs 2840130 Specdb::MsMs 2840131 Specdb::MsMs 2840132 Specdb::MsMs 2869572 Specdb::MsMs 2869573 Specdb::MsMs 2869574 HMDB29470 #<Reference:0x000055ce325e30e8> Dill Type 1 specific Anethum graveolens 40922 Green vegetables Unknown generic