159866 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 61 62 8 8 8 8 8 8 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 2 3 3 4 4 5 5 6 6 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 14 14 14 15 15 15 16 16 17 17 17 18 18 19 19 19 20 20 21 21 21 22 22 23 23 23 24 24 13 15 16 17 18 19 20 21 22 23 24 62 8 9 25 26 10 27 28 11 29 30 12 31 32 13 33 34 14 35 36 37 38 39 40 41 16 42 43 44 45 18 46 47 48 49 20 50 51 52 53 22 54 55 56 57 24 58 59 60 61 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 1 1 1 1 1 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 61 62 15.5273 12.9292 10.3312 7.7331 5.135 2.5369 18.9914 19.8574 18.1254 20.7235 17.2594 21.5895 16.3933 22.4555 14.6613 13.7953 12.0632 11.1972 9.4651 8.5991 6.8671 6.001 4.269 3.403 18.5929 19.3899 20.256 19.4589 18.5239 17.7269 20.3249 21.122 16.8608 17.6579 21.988 21.191 16.7919 15.9948 22.1455 22.9925 22.7655 15.0598 14.2628 13.3967 14.1938 11.6647 12.4617 11.5957 10.7987 9.8637 9.0666 8.2006 8.9976 6.4685 7.2656 6.3996 5.6025 4.6675 3.8705 3.0044 3.8015 2 -0.25 0.25 -0.25 0.25 -0.25 0.25 -0.25 0.25 0.25 -0.25 -0.25 0.25 0.25 -0.25 0.25 -0.25 -0.25 0.25 0.25 -0.25 -0.25 0.25 0.25 -0.25 -0.7249 -0.7249 0.7249 0.7249 0.7249 0.7249 -0.7249 -0.7249 -0.7249 -0.7249 0.7249 0.7249 0.7249 0.7249 -0.7869 -0.56 0.2869 0.7249 0.7249 -0.7249 -0.7249 -0.7249 -0.7249 0.7249 0.7249 0.7249 0.7249 -0.7249 -0.7249 -0.7249 -0.7249 0.7249 0.7249 0.7249 0.7249 -0.7249 -0.7249 -0.06 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 216 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 21 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371F0783800000000000000000000000000000000000000000000000000000000000000001A00000800000800A0800202000000060000000000000000000000000000000000000001100200000002000004000003000180C0A00000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C18H38O6/c1-2-3-4-5-6-7-9-20-11-13-22-15-17-24-18-16-23-14-12-21-10-8-19/h19H,2-18H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MJELOWOAIAAUJT-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 350.26683893 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C18H38O6 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 350.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCOCCOCCOCCOCCOCCO SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCOCCOCCOCCOCCOCCO Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 66.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 350.26683893 24 0 0 0 0 0 0 0 1 -1