1.0 2016-09-30 22:50:56 UTC 2020-04-22 15:09:41 UTC BMDB0002080 BMDB02080 Petroselinic acid 18:1N-6 6-Octadecensaeure C18:1N-6 Octadec-6-ensaeure Petroselinate Octadec-6-enoate Petroselinic acid, (e)-isomer Petroselinic acid, sodium salt, (Z)-isomer Petroselenic acid Petroselinic acid, (Z)-isomer Petroselinic acid C18H34O2 282.468 282.255880335 octadec-6-enoic acid 6-octadecenoic acid 4712-34-9 CCCCCCCCCCCC=CCCCCC(O)=O InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20) CNVZJPUDSLNTQU-UHFFFAOYSA-N belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Long-chain fatty acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Straight chain fatty acids Unsaturated fatty acids Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Long-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Straight chain fatty acid Unsaturated fatty acid Aliphatic acyclic compounds octadecenoic acid Solid logp 7.72 ALOGPS logs -6.39 ALOGPS logp 6.78 ChemAxon pka_strongest_acidic 4.89 ChemAxon iupac octadec-6-enoic acid ChemAxon average_mass 282.468 ChemAxon mono_mass 282.255880335 ChemAxon smiles CCCCCCCCCCCC=CCCCCC(O)=O ChemAxon formula C18H34O2 ChemAxon inchi InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20) ChemAxon inchikey CNVZJPUDSLNTQU-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 87.4 ChemAxon polarizability 37.64 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 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::CMs 102655 Specdb::CMs 133061 Specdb::CMs 140795 Specdb::EiMs 1991 Specdb::NmrOneD 5182 Specdb::NmrOneD 5183 Specdb::MsMs 1234855 Specdb::MsMs 1234856 Specdb::MsMs 1234857 Specdb::MsMs 1350340 Specdb::MsMs 1350341 Specdb::MsMs 1350342 Specdb::MsMs 2805039 Specdb::MsMs 2805040 Specdb::MsMs 2805041 Specdb::MsMs 2876357 Specdb::MsMs 2876358 Specdb::MsMs 2876359 FDB012765 11144 36022 11634 C00001235 Petroselinic acid Chobanov, D.; Agova, M.; Chuparova, E.; Chalukova, R. Preparation of pure petroselinic acid. Journal of the American Oil Chemists' Society (1966), 43(11), 625-6.