70602859 1 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 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 3 4 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 57 21 4 5 6 22 7 8 23 6 24 25 26 27 9 10 28 11 29 30 13 31 32 14 33 34 12 35 36 15 37 38 39 40 41 42 43 44 16 45 46 17 47 48 18 49 50 19 51 52 20 53 54 21 55 56 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 3 7 8 23 3 1 1 5 255 1 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 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 4.366 2.866 2.866 3.866 2 2 4.366 4.366 5.366 3.866 3.866 4.366 5.866 4.366 3.866 4.366 3.866 4.366 3.866 4.366 3.866 3.0265 3.556 1.3894 2.212 2.212 1.3894 4.676 4.841 4.841 5.9486 5.2584 3.3911 3.3911 3.3911 3.3911 4.841 4.841 5.3291 6.176 6.403 3.8291 4.676 4.903 3.3911 3.3911 4.841 4.841 3.3911 3.3911 4.841 4.841 3.3911 3.3911 4.841 4.841 4.056 5.7937 4.9277 -3.7326 -3.7326 -4.2326 -3.2326 -4.5986 -2.8665 -4.5986 -5.4646 -2.0005 -1.1345 -5.4646 -6.3306 -0.2685 0.5976 1.4636 2.3296 3.1956 4.0617 4.9277 -3.1337 -3.1956 -4.3402 -4.8152 -2.65 -3.1249 -4.0617 -3.2651 -2.468 -4.3865 -3.988 -5.0661 -5.8632 -1.602 -2.399 -1.533 -0.736 -5.7746 -6.0016 -5.1546 -6.6406 -6.8676 -6.0206 0.1301 -0.667 0.199 0.9961 1.8621 1.065 1.9311 2.7281 3.5942 2.7971 3.6631 4.4602 6.3306 3 4 8 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 267 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 14 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371F0783000000000000000000000001800000000000000000000000000000000000000001A00000800000D0080800002080000020008000090080000000000000000000100000000001200000000400004000000000188C8E08E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 11-cyclopropyl-12-ethyl-tetradecanoic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 11-cyclopropyl-12-ethyltetradecanoic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 11-cyclopropyl-12-ethyltetradecanoic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 11-cyclopropyl-12-ethyltetradecanoic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 11-cyclopropyl-12-ethyl-tetradecanoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 11-cyclopropyl-12-ethyl-myristic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H36O2/c1-3-16(4-2)18(17-14-15-17)12-10-8-6-5-7-9-11-13-19(20)21/h16-18H,3-15H2,1-2H3,(H,20,21) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GUDLUIKRNCTXNH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 7.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 296.271530387 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H36O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 296.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCC(CC)C(CCCCCCCCCC(=O)O)C1CC1 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCC(CC)C(CCCCCCCCCC(=O)O)C1CC1 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 37.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 296.271530387 21 1 0 1 0 0 0 0 1 -1