1.0 2010-04-08 22:12:45 UTC 2015-07-20 23:34:16 UTC FDB016950 D6-Ambrettolide Flavouring ingredient 6-Hexadecen-1,16-olide D6-Ambrettolide FEMA 2555 Oxacycloheptadec-7-en-2-one C16H28O2 252.3923 252.20893014 (7E)-1-oxacycloheptadec-7-en-2-one (7E)-1-oxacycloheptadec-7-en-2-one 7779-50-2 O=C1CCCC\C=C\CCCCCCCCCO1 InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h4,6H,1-3,5,7-15H2/b6-4+ HMWPDRYGIBLSHB-GQCTYLIASA-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 5.89 ALOGPS logs -5.76 ALOGPS solubility 4.40e-04 g/l ALOGPS melting_point Mp 28.5° logp 5.12 ChemAxon pka_strongest_basic -7 ChemAxon iupac (7E)-1-oxacycloheptadec-7-en-2-one ChemAxon average_mass 252.3923 ChemAxon mono_mass 252.20893014 ChemAxon smiles O=C1CCCC\C=C\CCCCCCCCCO1 ChemAxon formula C16H28O2 ChemAxon inchi InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h4,6H,1-3,5,7-15H2/b6-4+ ChemAxon inchikey HMWPDRYGIBLSHB-GQCTYLIASA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 76.64 ChemAxon polarizability 30.87 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 307603 Specdb::MsMs 307604 Specdb::MsMs 307605 Specdb::MsMs 351586 Specdb::MsMs 351587 Specdb::MsMs 351588 Specdb::MsMs 2351239 Specdb::MsMs 2351240 Specdb::MsMs 2351241 Specdb::MsMs 2584037 Specdb::MsMs 2584038 Specdb::MsMs 2584039 Specdb::CMs 18729 Specdb::CMs 150347 HMDB37805 #<Reference:0x000055ce30dc77e8> amber berry fruity soapy sweet