1.0 2010-04-08 22:14:46 UTC 2019-11-26 03:18:25 UTC FDB020064 2,5-Heptadien-1-ol Constituent of the flowers of Viola odorata (sweet violet). 2,5-Heptadien-1-ol is found in tea and green vegetables. C7H12O 112.1696 112.088815006 (2E,5Z)-hepta-2,5-dien-1-ol (2E,5Z)-hepta-2,5-dien-1-ol 62237-90-5 C\C=C/C\C=C\CO InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h2-3,5-6,8H,4,7H2,1H3/b3-2-,6-5+ ZKKRKBOEKNOTPX-NDEAWQBTSA-N belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. Fatty alcohols Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Aliphatic acyclic compounds Hydrocarbon derivatives Primary alcohols Alcohol Aliphatic acyclic compound Fatty alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol logp 2.18 ALOGPS logs -1.39 ALOGPS solubility 4.62e+00 g/l ALOGPS logp 1.57 ChemAxon pka_strongest_acidic 16.16 ChemAxon pka_strongest_basic -2.3 ChemAxon iupac (2E,5Z)-hepta-2,5-dien-1-ol ChemAxon average_mass 112.1696 ChemAxon mono_mass 112.088815006 ChemAxon smiles C\C=C/C\C=C\CO ChemAxon formula C7H12O ChemAxon inchi InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h2-3,5-6,8H,4,7H2,1H3/b3-2-,6-5+ ChemAxon inchikey ZKKRKBOEKNOTPX-NDEAWQBTSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 38.02 ChemAxon polarizability 13.24 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8915 Specdb::MsIr 8916 Specdb::MsMs 307354 Specdb::MsMs 307355 Specdb::MsMs 307356 Specdb::MsMs 351286 Specdb::MsMs 351287 Specdb::MsMs 351288 Specdb::MsMs 2791847 Specdb::MsMs 2791848 Specdb::MsMs 2791849 Specdb::MsMs 2916968 Specdb::MsMs 2916969 Specdb::MsMs 2916970 Specdb::NmrOneD 39862 Specdb::NmrOneD 39863 Specdb::NmrOneD 39864 Specdb::NmrOneD 39865 Specdb::NmrOneD 39866 Specdb::NmrOneD 39867 Specdb::NmrOneD 39868 Specdb::NmrOneD 39869 Specdb::NmrOneD 39870 Specdb::NmrOneD 39871 Specdb::NmrOneD 39872 Specdb::NmrOneD 39873 Specdb::NmrOneD 39874 Specdb::NmrOneD 39875 Specdb::NmrOneD 39876 Specdb::NmrOneD 39877 Specdb::NmrOneD 39878 Specdb::NmrOneD 39879 Specdb::NmrOneD 39880 Specdb::NmrOneD 39881 Specdb::CMs 18636 Specdb::CMs 46743 Specdb::CMs 174108 HMDB40339 #<Reference:0x000055ce33261810> Black tea Type 1 Green tea Type 1 Green vegetables Unknown generic Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442