1.02011-10-02 06:38:05 UTC2015-07-21 07:01:09 UTCFDB02978911-OxahexadecanolideFlavouring compound [Superscent]C15H28O3256.386256.2038447621,7-dioxacycloheptadecan-8-one1,7-dioxacycloheptadecan-8-oneO=C1CCCCCCCCCOCCCCCO1InChI=1S/C15H28O3/c16-15-11-7-4-2-1-3-5-8-12-17-13-9-6-10-14-18-15/h1-14H2MKEIDVFLAWJKMY-UHFFFAOYSA-N belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.Macrolides and analoguesOrganic compoundsPhenylpropanoids and polyketidesMacrolides and analoguesAliphatic heteromonocyclic compoundsCarbonyl compoundsCarboxylic acid estersDialkyl ethersHydrocarbon derivativesLactonesMonocarboxylic acids and derivativesOrganic oxidesOxacyclic compoundsAliphatic heteromonocyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterDialkyl etherEtherHydrocarbon derivativeLactoneMacrolideMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclelogp4.31logs-4.67solubility5.48e-03 g/llogp3.79pka_strongest_basic-4.1iupac1,7-dioxacycloheptadecan-8-oneaverage_mass256.386mono_mass256.203844762smilesO=C1CCCCCCCCCOCCCCCO1formulaC15H28O3inchiInChI=1S/C15H28O3/c16-15-11-7-4-2-1-3-5-8-12-17-13-9-6-10-14-18-15/h1-14H2inchikeyMKEIDVFLAWJKMY-UHFFFAOYSA-Npolar_surface_area35.53refractivity73.07polarizability30.64rotatable_bond_count0acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::MsMs1436671Specdb::MsMs1436672Specdb::MsMs1436673Specdb::MsMs3607480Specdb::MsMs3607481Specdb::MsMs3607482Specdb::MsMs1322302Specdb::MsMs1322303Specdb::MsMs1322304Specdb::MsMs3608323Specdb::MsMs3608324Specdb::MsMs3608325musky