20849235 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 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 2 -1 1 1 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 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 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 35 15 2 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 12.0263 2 2.866 12.5263 11.5263 13.3923 10.6603 14.2583 9.7942 15.1244 15.9904 8.9282 16.8564 17.7224 8.0622 18.5885 7.1962 19.4545 6.3301 5.4641 4.5981 3.732 2.866 12.9647 11.0879 13.7908 12.9938 11.0588 10.2617 14.2583 9.7942 15.1244 15.5919 16.3889 8.9282 17.2549 16.4579 17.3239 18.121 7.6636 8.4607 18.987 18.1899 7.1962 19.1445 19.9914 19.7645 6.3301 5.8626 5.0656 4.1996 4.9966 4.1306 3.3335 -0.926 0.44 -1.06 -0.06 -0.06 0.44 0.44 -0.06 -0.06 0.44 -0.06 0.44 0.44 -0.06 -0.06 0.44 0.44 -0.06 -0.06 0.44 -0.06 0.44 -0.06 -0.4984 -0.4984 0.9149 0.9149 0.9149 0.9149 -0.68 -0.68 1.06 -0.5349 -0.5349 1.06 0.9149 0.9149 -0.5349 -0.5349 -0.5349 -0.5349 0.9149 0.9149 1.06 -0.5969 -0.37 0.4769 -0.68 0.9149 0.9149 -0.5349 -0.5349 0.9149 0.9149 3 3 4 5 6 7 -1 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 390 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 13 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0783000000000000000000000001200000000000000000000000000000000000000001A00000000000814A08002020800000400880020D2080000000020000008080100000800001200010002000004C0000800038800000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E,8E)-10-[3-[(E)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E,8E)-10-[3-[(E)-oct-2-enyl]-2-oxiranyl]deca-5,8-dienoate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (5<I>E</I>,8<I>E</I>)-10-[3-[(<I>E</I>)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E,8E)-10-[3-[(E)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E,8E)-10-[3-[(E)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E,8E)-10-[3-[(E)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoate 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)/p-1/b8-6+,12-9+,13-10+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DXOYQVHGIODESM-ATELOPIESA-M Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 6.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 319.22731985 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H31O3- Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 319.5 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 52.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 319.22731985 23 2 0 2 3 3 0 0 1 -1