1.0 2016-05-22 04:40:48 UTC 2026-08-19 05:31:05 UTC 2-Isovaleryl-1,3-indanedione SmallMolecule 2-Isovaleryl-1,3-indanedione is an organic compound with the formula C14H14O3 and an average molecular weight of 230.26 g/mol. 2-Isovaleryl-1,3-indanedione belongs to the indanones, a subclass of indanes within the organic compounds. It is further classified within the superclass of benzenoids. The compound is identified in 10 recorded sources across various sectors. Within electrical and electronic equipment, it is associated with antennas, discharge lamps, fixed capacitors and their manufacture, gas filled discharge tubes with solid cathode, and hybrid capacitors. In the category of household cleaning and consumer products, it is found in ash trays, soap detergents, and perfumes within detergents and soaps. Additionally, it is utilized in the food, food processing and cookware sector for food preservation. 2-(3-methylbutanoyl)-2,3-dihydro-1H-indene-1,3-dione C14H14O3 230.263 230.094294311 2-(3-methylbutanoyl)-2,3-dihydro-1H-indene-1,3-dione valone 83-28-3 CC(C)CC(=O)C1C(=O)C2=CC=CC=C2C1=O InChI=1S/C14H14O3/c1-8(2)7-11(15)12-13(16)9-5-3-4-6-10(9)14(12)17/h3-6,8,12H,7H2,1-2H3 PVWMAOPFDINGAY-UHFFFAOYSA-N Organic compounds Benzenoids Indanes Indanones Indanediones Aryl alkyl ketones Beta-diketones Hydrocarbon derivatives Organic oxides 1,3-dicarbonyl compound 1,3-diketone Aromatic homopolycyclic compound Aryl alkyl ketone Aryl ketone Carbonyl group Hydrocarbon derivative Indanedione Ketone Organic oxide Organic oxygen compound Organooxygen compound Aromatic homopolycyclic compounds Detected and Not Quantified logp 2.6 logp 2.32 ALOGPS logs -3.14 ALOGPS solubility 1.67e-01 g/l ALOGPS logp 2.7 ChemAxon pka_strongest_acidic 2.3 ChemAxon pka_strongest_basic -7.3 ChemAxon iupac 2-(3-methylbutanoyl)-2,3-dihydro-1H-indene-1,3-dione ChemAxon average_mass 230.263 ChemAxon mono_mass 230.094294311 ChemAxon smiles CC(C)CC(=O)C1C(=O)C2=CC=CC=C2C1=O ChemAxon formula C14H14O3 ChemAxon inchi InChI=1S/C14H14O3/c1-8(2)7-11(15)12-13(16)9-5-3-4-6-10(9)14(12)17/h3-6,8,12H,7H2,1-2H3 ChemAxon inchikey PVWMAOPFDINGAY-UHFFFAOYSA-N ChemAxon polar_surface_area 51.21 ChemAxon refractivity 64.18 ChemAxon polarizability 24.44 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f725bce3540> 6733 6477