1.0 2010-04-08 22:10:23 UTC 2018-05-28 23:39:31 UTC FDB012827 Cyclohexyl pentanoate It is used in blackcurrant fruit flavouring. 1-Cyclohexyl pentanoate Cyclohexyl n-valerate Cyclohexyl pentanoate Cyclohexyl valerate Pentanoic acid, cyclohexyl ester C11H20O2 184.2753 184.146329884 cyclohexyl pentanoate cyclohexyl pentanoate 1551-43-5 CCCCC(=O)OC1CCCCC1 InChI=1S/C11H20O2/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h10H,2-9H2,1H3 YLCHTSSXNSNXSW-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Fatty acid esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic homomonocyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 3.64 ALOGPS logs -3.17 ALOGPS solubility 1.25e-01 g/l ALOGPS logp 3.31 ChemAxon pka_strongest_basic -7 ChemAxon iupac cyclohexyl pentanoate ChemAxon average_mass 184.2753 ChemAxon mono_mass 184.146329884 ChemAxon smiles CCCCC(=O)OC1CCCCC1 ChemAxon formula C11H20O2 ChemAxon inchi InChI=1S/C11H20O2/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h10H,2-9H2,1H3 ChemAxon inchikey YLCHTSSXNSNXSW-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 52.26 ChemAxon polarizability 22.25 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17059 Specdb::CMs 28370 Specdb::CMs 101618 Specdb::CMs 158837 Specdb::MsIr 6603 Specdb::MsIr 6604 Specdb::MsMs 106782 Specdb::MsMs 106783 Specdb::MsMs 106784 Specdb::MsMs 173613 Specdb::MsMs 173614 Specdb::MsMs 173615 Specdb::MsMs 2307387 Specdb::MsMs 2307388 Specdb::MsMs 2307389 Specdb::MsMs 2654660 Specdb::MsMs 2654661 Specdb::MsMs 2654662 HMDB34429 #<Reference:0x000055ce315cac10>