1.0 2010-04-08 22:14:52 UTC 2019-11-26 03:18:36 UTC FDB020204 Oxacyclotetradecan-2-one Constituent of blackberries (Rubus species) and Angelica archangelica (angelica). Oxacyclotetradecan-2-one is found in fats and oils, fruits, and green vegetables. 1-Oxacyclotetradecan-2-one 1,13-Tridecanolide 13-tridecanolide Tridecano-13-lactone Tridecanoic acid, 13-hydroxy-, .mu.-lactone Tridecanoic acid, 13-hydroxy-, &laquo;mu&raquo;-lactone Tridecanoic acid, 13-hydroxy-, laquo muraquo -lactone Tridecanolactone Tridecanolide C13H24O2 212.3285 212.177630012 1-oxacyclotetradecan-2-one 1-oxacyclotetradecan-2-one 1725-04-8 O=C1CCCCCCCCCCCCO1 InChI=1S/C13H24O2/c14-13-11-9-7-5-3-1-2-4-6-8-10-12-15-13/h1-12H2 IUDIJIVSWGWJNV-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 analogues Organic compounds Phenylpropanoids and polyketides Macrolides and analogues Aliphatic heteromonocyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Lactone Macrolide Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle logp 4.81 ALOGPS logs -4.65 ALOGPS solubility 4.81e-03 g/l ALOGPS melting_point Mp 27.5° (25°) logp 4.15 ChemAxon pka_strongest_basic -7 ChemAxon iupac 1-oxacyclotetradecan-2-one ChemAxon average_mass 212.3285 ChemAxon mono_mass 212.177630012 ChemAxon smiles O=C1CCCCCCCCCCCCO1 ChemAxon formula C13H24O2 ChemAxon inchi InChI=1S/C13H24O2/c14-13-11-9-7-5-3-1-2-4-6-8-10-12-15-13/h1-12H2 ChemAxon inchikey IUDIJIVSWGWJNV-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 61.72 ChemAxon polarizability 25.65 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26204 Specdb::CMs 134691 Specdb::CMs 142425 Specdb::MsMs 8834 Specdb::MsMs 8835 Specdb::MsMs 8836 Specdb::MsMs 15506 Specdb::MsMs 15507 Specdb::MsMs 15508 Specdb::MsMs 2846576 Specdb::MsMs 2846577 Specdb::MsMs 2846578 Specdb::MsMs 2862358 Specdb::MsMs 2862359 Specdb::MsMs 2862360 HMDB40451 #<Reference:0x000055ce31fc3398> Fats and oils Unknown generic Fruits Unknown generic Green vegetables Unknown generic