1.0 2010-04-08 22:13:23 UTC 2019-11-26 03:15:25 UTC FDB017909 (all-E)-3,5,7-Tridecatriene-9,11-diyn-1-ol Isolated from roots of Matricaria chamomilla (German chamomile) and Matricaria discoidea (pineapple weed). (all-E)-3,5,7-Tridecatriene-9,11-diyn-1-ol is found in tea, fats and oils, and herbs and spices. C13H14O 186.2497 186.10446507 (3E,5Z,7Z)-trideca-3,5,7-trien-9,11-diyn-1-ol (3E,5Z,7Z)-trideca-3,5,7-trien-9,11-diyn-1-ol CC#CC#C\C=C/C=C\C=C\CCO InChI=1S/C13H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h6-11,14H,12-13H2,1H3/b7-6-,9-8-,11-10+ CNMWTIVSNRLOLQ-ZUHOWUEJSA-N belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. Long-chain fatty alcohols Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Aliphatic acyclic compounds Hydrocarbon derivatives Primary alcohols Alcohol Aliphatic acyclic compound Hydrocarbon derivative Long chain fatty alcohol Organic oxygen compound Organooxygen compound Primary alcohol logp 3.86 ALOGPS logs -4.10 ALOGPS solubility 1.49e-02 g/l ALOGPS melting_point Mp 86.5° logp 2.89 ChemAxon pka_strongest_acidic 16.87 ChemAxon pka_strongest_basic -2 ChemAxon iupac (3E,5Z,7Z)-trideca-3,5,7-trien-9,11-diyn-1-ol ChemAxon average_mass 186.2497 ChemAxon mono_mass 186.10446507 ChemAxon smiles CC#CC#C\C=C/C=C\C=C\CCO ChemAxon formula C13H14O ChemAxon inchi InChI=1S/C13H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h6-11,14H,12-13H2,1H3/b7-6-,9-8-,11-10+ ChemAxon inchikey CNMWTIVSNRLOLQ-ZUHOWUEJSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 65.62 ChemAxon polarizability 23.16 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18518 Specdb::CMs 45890 Specdb::CMs 133247 Specdb::CMs 140981 Specdb::MsIr 7963 Specdb::MsIr 7964 Specdb::MsMs 55056 Specdb::MsMs 55057 Specdb::MsMs 55058 Specdb::MsMs 136959 Specdb::MsMs 136960 Specdb::MsMs 136961 Specdb::MsMs 2785672 Specdb::MsMs 2785673 Specdb::MsMs 2785674 Specdb::MsMs 2924080 Specdb::MsMs 2924081 Specdb::MsMs 2924082 HMDB38526 #<Reference:0x000055ce2f22b020> Black tea Type 1 Fats and oils 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