1.0 2010-04-08 22:14:10 UTC 2019-11-26 03:17:10 UTC FDB019154 (6Z,9Z)-6,9-Pentadecadien-2-one Constituent of Lindera benzoin (spicebush). (6Z,9Z)-6,9-Pentadecadien-2-one is found in tea, herbs and spices, and fruits. (Z,Z)-6,9-Pentadecadien-2-one 6,9-pentadecadien-2-one, (z,z)- C15H26O 222.3663 222.198365454 (6E,9Z)-pentadeca-6,9-dien-2-one (6E,9Z)-pentadeca-6,9-dien-2-one 78405-86-4 CCCCC\C=C/C\C=C\CCCC(C)=O InChI=1S/C15H26O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h7-8,10-11H,3-6,9,12-14H2,1-2H3/b8-7-,11-10+ PBWOSGBKOJCBNQ-QEFCTBRHSA-N belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Hydrocarbon derivative Ketone Organic oxide logp 5.52 ALOGPS logs -5.65 ALOGPS solubility 4.93e-04 g/l ALOGPS logp 4.97 ChemAxon pka_strongest_acidic 19.64 ChemAxon pka_strongest_basic -7.3 ChemAxon iupac (6E,9Z)-pentadeca-6,9-dien-2-one ChemAxon average_mass 222.3663 ChemAxon mono_mass 222.198365454 ChemAxon smiles CCCCC\C=C/C\C=C\CCCC(C)=O ChemAxon formula C15H26O ChemAxon inchi InChI=1S/C15H26O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h7-8,10-11H,3-6,9,12-14H2,1-2H3/b8-7-,11-10+ ChemAxon inchikey PBWOSGBKOJCBNQ-QEFCTBRHSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 73.67 ChemAxon polarizability 28.06 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16535 Specdb::CMs 168682 Specdb::MsMs 109113 Specdb::MsMs 109114 Specdb::MsMs 109115 Specdb::MsMs 176505 Specdb::MsMs 176506 Specdb::MsMs 176507 Specdb::MsMs 2268319 Specdb::MsMs 2268320 Specdb::MsMs 2268321 Specdb::MsMs 3070779 Specdb::MsMs 3070780 Specdb::MsMs 3070781 HMDB39538 #<Reference:0x000055ce2dcfc690> Black tea Type 1 Fruits Unknown generic Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442