1.0 2010-04-08 22:06:14 UTC 2019-11-26 03:00:01 UTC FDB004420 4-Ethyl-7,11-dimethyldodeca-trans-2-trans-6-1-o-trien-1-al 4-ethyl-7,11-dimethyldodeca-trans-2-trans-6-1-o-trien-1-al is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 4-ethyl-7,11-dimethyldodeca-trans-2-trans-6-1-o-trien-1-al can be found in tea, which makes 4-ethyl-7,11-dimethyldodeca-trans-2-trans-6-1-o-trien-1-al a potential biomarker for the consumption of this food product. C16H26O 234.377 234.198365454 (2E,6E)-4-ethyl-7,11-dimethyldodeca-2,6,10-trienal (2E,6E)-4-ethyl-7,11-dimethyldodeca-2,6,10-trienal CCC(C\C=C(/C)CCC=C(C)C)\C=C\C=O InChI=1S/C16H26O/c1-5-16(10-7-13-17)12-11-15(4)9-6-8-14(2)3/h7-8,10-11,13,16H,5-6,9,12H2,1-4H3/b10-7+,15-11+ FKDMTOCPIDCTDG-UNRYZTPYSA-N belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle. Acyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic acyclic compounds Enals Hydrocarbon derivatives Medium-chain aldehydes Organic oxides Acyclic monoterpenoid Aldehyde Aliphatic acyclic compound Alpha,beta-unsaturated aldehyde Carbonyl group Enal Hydrocarbon derivative Medium-chain aldehyde Organic oxide Organic oxygen compound Organooxygen compound logp 5.88 ALOGPS logs -4.41 ALOGPS solubility 9.13e-03 g/l ALOGPS logp 4.81 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac (2E,6E)-4-ethyl-7,11-dimethyldodeca-2,6,10-trienal ChemAxon average_mass 234.377 ChemAxon mono_mass 234.198365454 ChemAxon smiles CCC(C\C=C(/C)CCC=C(C)C)\C=C\C=O ChemAxon formula C16H26O ChemAxon inchi InChI=1S/C16H26O/c1-5-16(10-7-13-17)12-11-15(4)9-6-8-14(2)3/h7-8,10-11,13,16H,5-6,9,12H2,1-4H3/b10-7+,15-11+ ChemAxon inchikey FKDMTOCPIDCTDG-UNRYZTPYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 78.79 ChemAxon polarizability 29.76 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 99516 Specdb::MsMs 99517 Specdb::MsMs 99518 Specdb::MsMs 164658 Specdb::MsMs 164659 Specdb::MsMs 164660 Specdb::MsMs 3600482 Specdb::MsMs 3600483 Specdb::MsMs 3600484 Specdb::MsMs 3600485 Specdb::MsMs 3600486 Specdb::MsMs 3600487 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442