1.0 2016-09-30 22:54:52 UTC 2020-04-22 15:10:53 UTC BMDB0002384 BMDB02384 Stearaldehyde 1-Octadecanal N-Octadecanal Octadecanal Octadecyl aldehyde Stearyl aldehyde C18H36O 268.4778 268.276615774 octadecanal octadecanal 638-66-4 CCCCCCCCCCCCCCCCCC=O InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3 FWWQKRXKHIRPJY-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. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes Fatty aldehydes 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 Aliphatic acyclic compounds Fatty aldehydes Fatty aldehydes a small molecule alpha-CH2-containing aldehyde Solid logp 8.39 ALOGPS logs -7.08 ALOGPS logp 6.99 ChemAxon pka_strongest_acidic 15.56 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac octadecanal ChemAxon average_mass 268.4778 ChemAxon mono_mass 268.276615774 ChemAxon smiles CCCCCCCCCCCCCCCCCC=O ChemAxon formula C18H36O ChemAxon inchi InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3 ChemAxon inchikey FWWQKRXKHIRPJY-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 85.36 ChemAxon polarizability 37.65 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 298474 Specdb::MsMs 298475 Specdb::MsMs 298476 Specdb::MsMs 340246 Specdb::MsMs 340247 Specdb::MsMs 340248 Specdb::MsMs 2703764 Specdb::MsMs 2703765 Specdb::MsMs 2703766 Specdb::MsMs 3001669 Specdb::MsMs 3001670 Specdb::MsMs 3001671 Specdb::CMs 14696 Specdb::CMs 131565 Specdb::CMs 139299 FDB022988 C01838 12016 12533 C00056027 17034 Journal of the Chemical Society [Section] C: Organic (1968), (12), 1412-19.