53480479 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 8 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 2 2 3 4 4 4 5 5 6 6 6 7 7 7 8 8 9 9 10 10 11 11 11 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 18 18 18 19 19 20 20 20 21 21 21 22 22 22 4 5 23 55 23 5 6 24 7 25 8 26 27 9 28 29 10 30 12 31 11 32 13 33 34 15 35 14 36 37 16 38 39 17 40 41 18 42 43 19 44 45 46 47 20 48 21 49 50 22 51 52 23 53 54 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 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 1 4 1 5 6 24 3 1 5 1 4 7 25 3 1 8 6 30 10 32 11 2 1 9 7 31 12 15 35 1 1 17 15 44 19 48 20 2 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 8.5622 2 3.732 9.0622 8.0622 9.9282 7.1962 10.7942 6.3301 11.6603 12.5263 5.4641 13.3923 14.2583 5.4641 15.1244 4.5981 15.9904 4.5981 3.732 3.732 2.866 2.866 9.5006 7.6238 10.3267 9.5297 7.5947 6.7976 10.7942 6.3301 11.6603 12.1278 12.9248 4.9272 13.7908 12.9938 13.8598 14.6569 6.0747 5.6762 15.5229 14.7258 4.0611 15.6804 16.5273 16.3004 5.135 3.1215 3.52 4.3426 3.9441 2.2554 2.654 2 -3.993 3.373 3.373 -3.127 -3.127 -2.627 -2.627 -3.127 -3.127 -2.627 -3.127 -2.627 -2.627 -3.127 -1.627 -2.627 -1.127 -3.127 -0.127 0.373 1.373 1.873 2.873 -3.5654 -3.5654 -2.152 -2.152 -2.152 -2.152 -3.747 -3.747 -2.007 -3.6019 -3.6019 -2.937 -2.152 -2.152 -3.6019 -3.6019 -1.7346 -1.0444 -2.152 -2.152 -1.437 -3.6639 -3.437 -2.5901 0.183 0.4807 -0.2096 1.2654 1.9556 1.9807 1.2904 3.993 3 3 4 5 6 7 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 396 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 00000371F0783000000000000000000000001200000000000000000000000000000000000000001A00000800000814A08002020800000600880020D2080000000020000008080100000800001200010002400004C0000800038800000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E,8Z)-10-[3-[(E)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E,8Z)-10-[3-[(E)-oct-2-enyl]-2-oxiranyl]deca-5,8-dienoic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (5<I>E</I>,8<I>Z</I>)-10-[3-[(<I>E</I>)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E,8Z)-10-[3-[(E)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E,8Z)-10-[3-[(E)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E,8Z)-10-[3-[(E)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)/b8-6+,12-9+,13-10- InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DXOYQVHGIODESM-IQCOFVSKSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 320.23514488 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H32O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 320.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCC=CCC1C(O1)CC=CCC=CCCCC(=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCC/C=C/CC1C(O1)C/C=C\C/C=C/CCCC(=O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 49.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 320.23514488 23 2 0 2 3 3 0 0 1 -1