1.0 2016-06-03 12:15:00 UTC 2026-08-25 15:10:18 UTC neononanoic acid SmallMolecule neononanoic acid (C9H18O2) is an organic compound with an average molecular weight of 158.24 g/mol. neononanoic acid belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. This substance has been found in or released from drinking water and water supply (drinking water), with oral exposure being the recorded route. C9H18O2 158.241 158.13067982 6,6-dimethylheptanoic acid 6,6-dimethylheptanoic acid 59354-78-8 CC(C)(C)CCCCC(O)=O InChI=1S/C9H18O2/c1-9(2,3)7-5-4-6-8(10)11/h4-7H2,1-3H3,(H,10,11) AAOISIQFPPAFQO-UHFFFAOYSA-N Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Medium-chain fatty acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Medium-chain fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds Branched fatty acids Detected and Not Quantified logp 3.1 logp 3.16 ALOGPS logs -2.53 ALOGPS solubility 4.67e-01 g/l ALOGPS logp 2.84 ChemAxon pka_strongest_acidic 5.23 ChemAxon iupac 6,6-dimethylheptanoic acid ChemAxon average_mass 158.241 ChemAxon mono_mass 158.13067982 ChemAxon smiles CC(C)(C)CCCCC(O)=O ChemAxon formula C9H18O2 ChemAxon inchi InChI=1S/C9H18O2/c1-9(2,3)7-5-4-6-8(10)11/h4-7H2,1-3H3,(H,10,11) ChemAxon inchikey AAOISIQFPPAFQO-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 44.7 ChemAxon polarizability 18.97 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72838bc8b8> 6453798 4956147