1.0 2016-06-03 10:41:23 UTC 2026-03-27 01:51:32 UTC (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylate SmallMolecule (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylate belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. This compound has the chemical formula C14H24O4S and an average molecular weight of 288.40 g/mol. It has been found in or released from drinking water and water supply. The recorded exposure route for this substance is oral. C14H24O4S 288.4 288.139530427 5-methyl-2-(propan-2-yl)cyclohexyl 5-hydroxy-1,3-oxathiolane-2-carboxylate 2-isopropyl-5-methylcyclohexyl 5-hydroxy-1,3-oxathiolane-2-carboxylate 147126-62-3 CC(C)C1CCC(C)CC1OC(=O)C1OC(O)CS1 InChI=1S/C14H24O4S/c1-8(2)10-5-4-9(3)6-11(10)17-13(16)14-18-12(15)7-19-14/h8-12,14-15H,4-7H2,1-3H3 KXKDZLRTIFHOHW-UHFFFAOYSA-N Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Menthane monoterpenoids Carbonyl compounds Carboxylic acid esters Hemiacetals Hydrocarbon derivatives Monocarboxylic acids and derivatives Monocyclic monoterpenoids Monothioacetals Organic oxides Oxacyclic compounds Oxathiolanes Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hemiacetal Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic monoterpenoid Monothioacetal Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxathiolane P-menthane monoterpenoid Aliphatic heteromonocyclic compounds Detected and Not Quantified logp 2.44 ALOGPS logs -3.16 ALOGPS solubility 1.98e-01 g/l ALOGPS logp 3.05 ChemAxon pka_strongest_acidic 12.05 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 5-methyl-2-(propan-2-yl)cyclohexyl 5-hydroxy-1,3-oxathiolane-2-carboxylate ChemAxon average_mass 288.4 ChemAxon mono_mass 288.139530427 ChemAxon smiles CC(C)C1CCC(C)CC1OC(=O)C1OC(O)CS1 ChemAxon formula C14H24O4S ChemAxon inchi InChI=1S/C14H24O4S/c1-8(2)10-5-4-9(3)6-11(10)17-13(16)14-18-12(15)7-19-14/h8-12,14-15H,4-7H2,1-3H3 ChemAxon inchikey KXKDZLRTIFHOHW-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 74.4 ChemAxon polarizability 31.56 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f726e8cea78> 21467920 14010313