1.0 2010-04-08 22:04:45 UTC 2019-11-26 02:55:34 UTC FDB000876 Octacosanal Isolated from wax of wine grapes (Vitis vinifera) and from cabbage leaves (Brassica oleracea). Octacosanal is found in alcoholic beverages, brassicas, and fruits. 1-Octacosanal Montanaldehyde Montanic aldehyde N-Octacosan-1-al N-Octacosanal C28H56O 408.7436 408.433116414 octacosanal octacosanal 22725-64-0 CCCCCCCCCCCCCCCCCCCCCCCCCCCC=O InChI=1S/C28H56O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h28H,2-27H2,1H3 LVXORIXZNUNHGQ-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty aldehydes. These are long chain aldehydes with a chain of at least 12 carbon atoms. Fatty aldehydes Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes Aliphatic acyclic compounds Alpha-hydrogen aldehydes Hydrocarbon derivatives Organic oxides Aldehyde Aliphatic acyclic compound Alpha-hydrogen aldehyde Carbonyl group Fatty aldehyde Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound 2,3-saturated fatty aldehyde Fatty aldehydes a fatty aldehyde long-chain fatty aldehyde logp 10.59 ALOGPS logs -7.66 ALOGPS solubility 8.90e-06 g/l ALOGPS logp 11.43 ChemAxon pka_strongest_acidic 15.56 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac octacosanal ChemAxon average_mass 408.7436 ChemAxon mono_mass 408.433116414 ChemAxon smiles CCCCCCCCCCCCCCCCCCCCCCCCCCCC=O ChemAxon formula C28H56O ChemAxon inchi InChI=1S/C28H56O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h28H,2-27H2,1H3 ChemAxon inchikey LVXORIXZNUNHGQ-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 131.37 ChemAxon polarizability 59.15 ChemAxon rotatable_bond_count 26 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14337 Specdb::CMs 132251 Specdb::CMs 139985 Specdb::MsMs 108747 Specdb::MsMs 108748 Specdb::MsMs 108749 Specdb::MsMs 176049 Specdb::MsMs 176050 Specdb::MsMs 176051 Specdb::MsMs 2821548 Specdb::MsMs 2821549 Specdb::MsMs 2821550 Specdb::MsMs 2857551 Specdb::MsMs 2857552 Specdb::MsMs 2857553 HMDB29690 #<Reference:0x000055ce321cb1e0> Alcoholic beverages Unknown generic Brassicas Unknown generic 3705 Fruits Unknown generic