1.0 2010-04-08 22:12:37 UTC 2025-11-19 01:49:32 UTC FDB016749 xi-Tetrahydro-3-nonyl-2H-pyran-2-one Present in aroma of date palm fruit (Phoenix dactylifera). xi-Tetrahydro-3-nonyl-2H-pyran-2-one is found in fruits. C14H26O2 226.355 226.193280076 3-nonyloxan-2-one 3-nonyloxan-2-one CCCCCCCCCC1CCCOC1=O InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-16-14(13)15/h13H,2-12H2,1H3 XLKRUURGHWUVNG-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 5.39 ALOGPS logs -5.10 ALOGPS solubility 1.78e-03 g/l ALOGPS logp 4.69 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 3-nonyloxan-2-one ChemAxon average_mass 226.355 ChemAxon mono_mass 226.193280076 ChemAxon smiles CCCCCCCCCC1CCCOC1=O ChemAxon formula C14H26O2 ChemAxon inchi InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-16-14(13)15/h13H,2-12H2,1H3 ChemAxon inchikey XLKRUURGHWUVNG-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 66.29 ChemAxon polarizability 28.72 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19175 Specdb::CMs 135234 Specdb::CMs 142968 Specdb::MsMs 79767 Specdb::MsMs 79768 Specdb::MsMs 79769 Specdb::MsMs 140430 Specdb::MsMs 140431 Specdb::MsMs 140432 Specdb::MsMs 2293941 Specdb::MsMs 2293942 Specdb::MsMs 2293943 Specdb::MsMs 2640829 Specdb::MsMs 2640830 Specdb::MsMs 2640831 HMDB37633 #<Reference:0x000055ce3001e268> Fruits Unknown generic