1.0 2016-05-19 03:38:12 UTC 2026-03-26 22:29:53 UTC Neodecanoic acid, oxiranylmethyl ester SmallMolecule Neodecanoic acid, oxiranylmethyl ester belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. This lipid and lipid-like molecule has the chemical formula C13H24O3 and an average molecular weight of 228.33 g/mol. In industrial applications, the compound is used as a solvent. It has been recorded in drinking water and water supply sources, with oral exposure being the recorded route of exposure. 2,3-epoxypropyl neodecanoate C13H24O3 228.332 228.172544633 (oxiran-2-yl)methyl 2-ethyl-2,5-dimethylhexanoate oxiran-2-ylmethyl 2-ethyl-2,5-dimethylhexanoate 26761-45-5 CCC(C)(CCC(C)C)C(=O)OCC1CO1 InChI=1S/C13H24O3/c1-5-13(4,7-6-10(2)3)12(14)16-9-11-8-15-11/h10-11H,5-9H2,1-4H3 DHEHEJGXTUCSQF-UHFFFAOYSA-N Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Fatty acid esters Carbonyl compounds Carboxylic acid esters Dialkyl ethers Epoxides Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Ether Fatty acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Aliphatic heteromonocyclic compounds Detected and Not Quantified logp 3.50 ALOGPS logs -3.47 ALOGPS solubility 7.82e-02 g/l ALOGPS logp 3.63 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (oxiran-2-yl)methyl 2-ethyl-2,5-dimethylhexanoate ChemAxon average_mass 228.332 ChemAxon mono_mass 228.172544633 ChemAxon smiles CCC(C)(CCC(C)C)C(=O)OCC1CO1 ChemAxon formula C13H24O3 ChemAxon inchi InChI=1S/C13H24O3/c1-5-13(4,7-6-10(2)3)12(14)16-9-11-8-15-11/h10-11H,5-9H2,1-4H3 ChemAxon inchikey DHEHEJGXTUCSQF-UHFFFAOYSA-N ChemAxon polar_surface_area 38.83 ChemAxon refractivity 62.81 ChemAxon polarizability 26.66 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f726c54f660> 558768 485744