1.0 2010-04-08 22:13:34 UTC 2019-11-26 03:15:51 UTC FDB018201 1-Heptadecene-4,6-diyne-3,9-diol Present in ginseng root. 1-Heptadecene-4,6-diyne-3,9-diol is found in tea. C17H26O2 262.3871 262.193280076 heptadec-1-en-4,6-diyne-3,9-diol heptadec-1-en-4,6-diyne-3,9-diol 77084-19-6 CCCCCCCCC(O)CC#CC#CC(O)C=C InChI=1S/C17H26O2/c1-3-5-6-7-8-10-14-17(19)15-12-9-11-13-16(18)4-2/h4,16-19H,2-3,5-8,10,14-15H2,1H3 WNSUMUNACHNURC-UHFFFAOYSA-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 Secondary alcohols Alcohol Aliphatic acyclic compound Hydrocarbon derivative Long chain fatty alcohol Organic oxygen compound Organooxygen compound Secondary alcohol logp 4.57 ALOGPS logs -4.54 ALOGPS solubility 7.65e-03 g/l ALOGPS melting_point Mp 80-85° dec. logp 4.43 ChemAxon pka_strongest_acidic 13.29 ChemAxon pka_strongest_basic -1.8 ChemAxon iupac heptadec-1-en-4,6-diyne-3,9-diol ChemAxon average_mass 262.3871 ChemAxon mono_mass 262.193280076 ChemAxon smiles CCCCCCCCC(O)CC#CC#CC(O)C=C ChemAxon formula C17H26O2 ChemAxon inchi InChI=1S/C17H26O2/c1-3-5-6-7-8-10-14-17(19)15-12-9-11-13-16(18)4-2/h4,16-19H,2-3,5-8,10,14-15H2,1H3 ChemAxon inchikey WNSUMUNACHNURC-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 81.82 ChemAxon polarizability 33.7 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 44655 Specdb::MsMs 44656 Specdb::MsMs 44657 Specdb::MsMs 136323 Specdb::MsMs 136324 Specdb::MsMs 136325 Specdb::MsMs 2810207 Specdb::MsMs 2810208 Specdb::MsMs 2810209 Specdb::MsMs 2894858 Specdb::MsMs 2894859 Specdb::MsMs 2894860 Specdb::CMs 16130 Specdb::CMs 46052 Specdb::CMs 173830 HMDB38782 #<Reference:0x000055ce307dfa60> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442