1.0 2010-04-08 22:10:06 UTC 2019-11-26 03:06:32 UTC FDB012302 5-(3,4-Methylenedioxyphenyl)pentanoic acid Isolated from fruits of Piper longum (long pepper). 5-(3,4-Methylenedioxyphenyl)pentanoic acid is found in herbs and spices. 1,3-Benzodioxole-5-pentanoic acid, 9CI Piperhydronic acid Tetrahydropiperinic acid C12H14O4 222.2372 222.089208936 5-(2H-1,3-benzodioxol-5-yl)pentanoic acid 5-(2H-1,3-benzodioxol-5-yl)pentanoic acid 41917-45-7 OC(=O)CCCCC1=CC2=C(OCO2)C=C1 InChI=1S/C12H14O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h5-7H,1-4,8H2,(H,13,14) VSLFLWQBWGEPBW-UHFFFAOYSA-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 Benzenoids Carbonyl compounds Carboxylic acids Heterocyclic fatty acids Hydrocarbon derivatives Medium-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Acetal Aromatic heteropolycyclic compound Benzenoid Benzodioxole Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acid Fatty acyl Heterocyclic fatty acid Hydrocarbon derivative Medium-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle logp 2.48 ALOGPS logs -2.67 ALOGPS solubility 4.76e-01 g/l ALOGPS melting_point Mp 100-101° (90-91°) logp 2.57 ChemAxon pka_strongest_acidic 3.87 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac 5-(2H-1,3-benzodioxol-5-yl)pentanoic acid ChemAxon average_mass 222.2372 ChemAxon mono_mass 222.089208936 ChemAxon smiles OC(=O)CCCCC1=CC2=C(OCO2)C=C1 ChemAxon formula C12H14O4 ChemAxon inchi InChI=1S/C12H14O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h5-7H,1-4,8H2,(H,13,14) ChemAxon inchikey VSLFLWQBWGEPBW-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 56.94 ChemAxon polarizability 23.48 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13045 Specdb::CMs 43679 Specdb::CMs 150207 Specdb::MsMs 88632 Specdb::MsMs 88633 Specdb::MsMs 88634 Specdb::MsMs 151395 Specdb::MsMs 151396 Specdb::MsMs 151397 Specdb::MsMs 2329149 Specdb::MsMs 2329150 Specdb::MsMs 2329151 Specdb::MsMs 2636014 Specdb::MsMs 2636015 Specdb::MsMs 2636016 HMDB34056 #<Reference:0x000055ce302b5828> Herbs and Spices Unknown generic