5363286 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 58 59 60 8 8 6 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 1 1 2 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 17 17 18 19 19 19 20 20 20 21 22 22 22 17 21 21 4 5 23 24 6 25 26 7 27 28 8 29 30 9 31 32 10 33 34 11 35 36 16 37 38 17 39 40 13 14 41 42 15 43 44 18 45 46 19 47 48 18 49 50 51 52 20 53 54 55 56 57 22 58 59 60 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16 10 49 18 14 52 1 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 58 59 60 3.732 2.866 8.9282 9.7942 8.0622 10.6603 7.1962 11.5263 6.3301 12.3923 5.4641 14.9904 14.9904 14.1244 15.8564 13.2583 4.5981 14.1244 15.8564 16.7224 2.866 2 9.3267 8.5297 9.3957 10.1928 7.6636 8.4607 11.0588 10.2617 7.5947 6.7976 11.1278 11.9248 5.9316 6.7287 12.7908 11.9938 5.8626 5.0656 15.2024 15.601 14.7783 14.3798 13.9123 13.5138 16.0685 16.467 13.2583 4.1996 4.9966 14.6613 15.6444 15.2458 17.0324 17.2594 16.4124 2.31 1.4631 1.69 -1.5 -3 -1.5 -2 -2 -1.5 -1.5 -2 -2 -1.5 -1.5 -0 1 -0.5 1.5 -2 -2 -1.5 2.5 3 -2 -1.5 -1.025 -1.025 -2.475 -2.475 -2.475 -2.475 -1.025 -1.025 -1.025 -1.025 -2.475 -2.475 -2.475 -2.475 -1.025 -1.025 -1.025 -1.025 -0.5826 0.1077 1.5826 0.8923 0.0826 -0.6077 0.9174 1.6077 -2.62 -2.475 -2.475 -1.81 3.0826 2.3923 2.4631 3.31 3.5369 -0.9631 -1.19 -2.0369 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 258 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 17 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371F0783000000000000000000000000000000000000000000000000000000000000000001A00000000000800A08002020800000400880020D2080000000020000008080000000800000200010002000004800008000380C0A00000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 [(Z)-octadec-11-enyl] acetate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 acetic acid [(Z)-octadec-11-enyl] ester IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 [(<I>Z</I>)-octadec-11-enyl] acetate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 [(Z)-octadec-11-enyl] acetate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 [(Z)-octadec-11-enyl] ethanoate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 acetic acid [(Z)-octadec-11-enyl] ester InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h8-9H,3-7,10-19H2,1-2H3/b9-8- InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QSZKEDWVAOAFQY-HJWRWDBZSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 7.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 310.287180451 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H38O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 310.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCC=CCCCCCCCCCCOC(=O)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCC/C=C\CCCCCCCCCCOC(=O)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 26.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 310.287180451 22 0 0 0 1 1 0 0 1 -1