1.0 2010-04-08 22:07:26 UTC 2019-11-26 03:01:29 UTC FDB007088 Acetyl dehydrorishitinol Acetyl dehydrorishitinol is a member of the class of compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. Acetyl dehydrorishitinol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Acetyl dehydrorishitinol can be found in potato, which makes acetyl dehydrorishitinol a potential biomarker for the consumption of this food product. C17H22O2 258.3554 258.161979948 2-(5,8-dimethyl-1,4-dihydronaphthalen-2-yl)propan-2-yl acetate 2-(5,8-dimethyl-1,4-dihydronaphthalen-2-yl)propan-2-yl acetate CC(=O)OC(C)(C)C1=CCC2=C(C1)C(C)=CC=C2C InChI=1S/C17H22O2/c1-11-6-7-12(2)16-10-14(8-9-15(11)16)17(4,5)19-13(3)18/h6-8H,9-10H2,1-5H3 IYWWINMILOVFBK-UHFFFAOYSA-N belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. Naphthalenes Organic compounds Benzenoids Naphthalenes Aromatic homopolycyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aromatic homopolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Naphthalene Organic oxide Organic oxygen compound Organooxygen compound logp 5.16 ALOGPS logs -5.16 ALOGPS solubility 1.79e-03 g/l ALOGPS logp 4.19 ChemAxon pka_strongest_basic -7 ChemAxon iupac 2-(5,8-dimethyl-1,4-dihydronaphthalen-2-yl)propan-2-yl acetate ChemAxon average_mass 258.3554 ChemAxon mono_mass 258.161979948 ChemAxon smiles CC(=O)OC(C)(C)C1=CCC2=C(C1)C(C)=CC=C2C ChemAxon formula C17H22O2 ChemAxon inchi InChI=1S/C17H22O2/c1-11-6-7-12(2)16-10-14(8-9-15(11)16)17(4,5)19-13(3)18/h6-8H,9-10H2,1-5H3 ChemAxon inchikey IYWWINMILOVFBK-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 79 ChemAxon polarizability 30.56 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 78183 Specdb::MsMs 78184 Specdb::MsMs 78185 Specdb::MsMs 138462 Specdb::MsMs 138463 Specdb::MsMs 138464 Specdb::MsMs 3603629 Specdb::MsMs 3603630 Specdb::MsMs 3603631 Specdb::MsMs 3604726 Specdb::MsMs 3604727 Specdb::MsMs 3604728 Potato Type 1 specific Solanum tuberosum 4113