1.0 2010-04-08 22:10:02 UTC 2019-11-26 03:06:20 UTC FDB012176 Crithmumdiol Constituent of Crithmum maritimum (rock samphire). Crithmumdiol is found in green vegetables. Crithmumdiol C17H26O2 262.3871 262.193280076 (4E,9E)-heptadeca-1,4,9-trien-6-yne-3,8-diol (4E,9E)-heptadeca-1,4,9-trien-6-yne-3,8-diol CCCCCCC\C=C\C(O)C#C\C=C\C(O)C=C InChI=1S/C17H26O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10-11,13-14,16-19H,2-3,5-9H2,1H3/b13-11+,14-10+ LCHMNLCUPRABCV-CKNIOMRDSA-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 4.40 ALOGPS logs -4.80 ALOGPS solubility 4.15e-03 g/l ALOGPS logp 4.43 ChemAxon pka_strongest_acidic 14.27 ChemAxon pka_strongest_basic -2.2 ChemAxon iupac (4E,9E)-heptadeca-1,4,9-trien-6-yne-3,8-diol ChemAxon average_mass 262.3871 ChemAxon mono_mass 262.193280076 ChemAxon smiles CCCCCCC\C=C\C(O)C#C\C=C\C(O)C=C ChemAxon formula C17H26O2 ChemAxon inchi InChI=1S/C17H26O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10-11,13-14,16-19H,2-3,5-9H2,1H3/b13-11+,14-10+ ChemAxon inchikey LCHMNLCUPRABCV-CKNIOMRDSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 84.38 ChemAxon polarizability 33.14 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16459 Specdb::CMs 43608 Specdb::CMs 168610 Specdb::MsMs 81177 Specdb::MsMs 81178 Specdb::MsMs 81179 Specdb::MsMs 142221 Specdb::MsMs 142222 Specdb::MsMs 142223 Specdb::MsMs 2473691 Specdb::MsMs 2473692 Specdb::MsMs 2473693 Specdb::MsMs 2489553 Specdb::MsMs 2489554 Specdb::MsMs 2489555 HMDB33957 #<Reference:0x000055ce31e8d5f0> Green vegetables Unknown generic