1.0 2016-09-30 22:52:51 UTC 2020-04-22 15:10:16 UTC BMDB0002221 BMDB02221 2,6,10-Trimethylundecanoic acid 2,6,10-Trimethylundecanoate 2,6,10-Trimethyl-undecanoate C14H28O2 228.3709 228.20893014 2,6,10-trimethylundecanoic acid 2,6,10-trimethylundecanoate 1115-94-2 CC(C)CCCC(C)CCCC(C)C(O)=O InChI=1S/C14H28O2/c1-11(2)7-5-8-12(3)9-6-10-13(4)14(15)16/h11-13H,5-10H2,1-4H3,(H,15,16) QFIWFUDXERFOIY-UHFFFAOYSA-N belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Medium-chain fatty acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Medium-chain fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds Branched fatty acids Solid logp 5.25 ALOGPS logs -4.88 ALOGPS logp 5.15 ChemAxon pka_strongest_acidic 5 ChemAxon iupac 2,6,10-trimethylundecanoic acid ChemAxon average_mass 228.3709 ChemAxon mono_mass 228.20893014 ChemAxon smiles CC(C)CCCC(C)CCCC(C)C(O)=O ChemAxon formula C14H28O2 ChemAxon inchi InChI=1S/C14H28O2/c1-11(2)7-5-8-12(3)9-6-10-13(4)14(15)16/h11-13H,5-10H2,1-4H3,(H,15,16) ChemAxon inchikey QFIWFUDXERFOIY-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 67.75 ChemAxon polarizability 28.91 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 311818 Specdb::MsMs 311819 Specdb::MsMs 311820 Specdb::MsMs 356908 Specdb::MsMs 356909 Specdb::MsMs 356910 Specdb::MsMs 2734766 Specdb::MsMs 2734767 Specdb::MsMs 2734768 Specdb::MsMs 2974185 Specdb::MsMs 2974186 Specdb::MsMs 2974187 Specdb::CMs 20570 Specdb::CMs 38325 Specdb::CMs 146396 FDB022915 2310089 3047764 6556 Kuraray Co., Ltd., Japan. 2,6,10-Trimethylundecanoic acid and 2,6,10-trimethyl-9-undecenoic acid. Jpn. Kokai Tokkyo Koho (1985), 4 pp.