1.0 2010-04-08 22:12:37 UTC 2019-11-26 03:13:43 UTC FDB016748 xi-Tetrahydro-3-pentyl-2H-pyran-2-one Present in aroma of date palm fruit (Phoenix dactylifera). xi-Tetrahydro-3-pentyl-2H-pyran-2-one is found in fruits. C10H18O2 170.2487 170.13067982 3-pentyloxan-2-one 3-pentyloxan-2-one CCCCCC1CCCOC1=O InChI=1S/C10H18O2/c1-2-3-4-6-9-7-5-8-12-10(9)11/h9H,2-8H2,1H3 GYSLAGLXKCQGLV-UHFFFAOYSA-N belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety. Delta valerolactones Organic compounds Organoheterocyclic compounds Lactones Delta valerolactones Aliphatic heteromonocyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Delta valerolactone Delta_valerolactone Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxane logp 3.08 ALOGPS logs -2.85 ALOGPS solubility 2.42e-01 g/l ALOGPS logp 2.92 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 3-pentyloxan-2-one ChemAxon average_mass 170.2487 ChemAxon mono_mass 170.13067982 ChemAxon smiles CCCCCC1CCCOC1=O ChemAxon formula C10H18O2 ChemAxon inchi InChI=1S/C10H18O2/c1-2-3-4-6-9-7-5-8-12-10(9)11/h9H,2-8H2,1H3 ChemAxon inchikey GYSLAGLXKCQGLV-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 47.89 ChemAxon polarizability 20.27 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7577 Specdb::MsIr 7578 Specdb::CMs 15596 Specdb::CMs 130869 Specdb::CMs 138603 Specdb::MsMs 59994 Specdb::MsMs 59995 Specdb::MsMs 59996 Specdb::MsMs 116238 Specdb::MsMs 116239 Specdb::MsMs 116240 Specdb::MsMs 2788129 Specdb::MsMs 2788130 Specdb::MsMs 2788131 Specdb::MsMs 2918249 Specdb::MsMs 2918250 Specdb::MsMs 2918251 HMDB37632 #<Reference:0x000055ce3075d740> Fruits Unknown generic