1.0 2010-04-08 22:11:24 UTC 2019-11-26 03:10:36 UTC FDB014679 (Z)-4-Methoxy-6-(1-propenyl)-1,3-benzodioxole Present in nutmeg (Myristica fragrans). (Z)-4-Methoxy-6-(1-propenyl)-1,3-benzodioxole is found in herbs and spices. (Z)-4-Methoxy-6-(1-propenyl)-1,3-benzodioxole C11H12O3 192.2112 192.07864425 4-methoxy-6-[(1Z)-prop-1-en-1-yl]-2H-1,3-benzodioxole 4-methoxy-6-[(1Z)-prop-1-en-1-yl]-2H-1,3-benzodioxole COC1=C2OCOC2=CC(\C=C/C)=C1 InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3-6H,7H2,1-2H3/b4-3- DHUZAAUGHUHIDS-ARJAWSKDSA-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 2.68 ALOGPS logs -2.64 ALOGPS solubility 4.40e-01 g/l ALOGPS logp 2.56 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 4-methoxy-6-[(1Z)-prop-1-en-1-yl]-2H-1,3-benzodioxole ChemAxon average_mass 192.2112 ChemAxon mono_mass 192.07864425 ChemAxon smiles COC1=C2OCOC2=CC(\C=C/C)=C1 ChemAxon formula C11H12O3 ChemAxon inchi InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3-6H,7H2,1-2H3/b4-3- ChemAxon inchikey DHUZAAUGHUHIDS-ARJAWSKDSA-N ChemAxon polar_surface_area 27.69 ChemAxon refractivity 53.65 ChemAxon polarizability 20.48 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7027 Specdb::MsIr 7028 Specdb::CMs 9613 Specdb::CMs 153400 Specdb::MsMs 56238 Specdb::MsMs 56239 Specdb::MsMs 56240 Specdb::MsMs 111609 Specdb::MsMs 111610 Specdb::MsMs 111611 Specdb::MsMs 2297138 Specdb::MsMs 2297139 Specdb::MsMs 2297140 Specdb::MsMs 2642436 Specdb::MsMs 2642437 Specdb::MsMs 2642438 HMDB35894 #<Reference:0x000055ce3167bba0> Herbs and Spices Unknown generic