75050 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 63 64 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 1 1 1 1 2 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 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 20 20 20 21 21 21 22 22 19 21 22 64 4 5 23 24 6 25 26 7 27 28 8 29 30 9 31 32 10 33 34 11 35 36 12 37 38 13 39 40 14 41 42 15 43 44 16 45 46 17 47 48 18 49 50 19 51 52 20 53 54 55 56 57 58 59 22 60 61 62 63 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 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 63 64 17.5885 20.1865 9.7942 8.9282 10.6603 8.0622 11.5263 7.1962 12.3923 6.3301 13.2583 5.4641 14.1244 4.5981 14.9904 3.732 15.8564 2.866 16.7224 2 18.4545 19.3205 9.3957 10.1928 9.3267 8.5297 11.0588 10.2617 7.6636 8.4607 11.1278 11.9248 7.5947 6.7976 12.7908 11.9938 5.9316 6.7287 12.8598 13.6569 5.8626 5.0656 14.5229 13.7258 4.1996 4.9966 14.5919 15.3889 4.1306 3.3335 16.2549 15.4579 2.4675 3.2646 16.3239 17.121 2.31 1.4631 1.69 18.056 18.853 19.719 18.922 20.7235 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 -0.7249 -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 0.7869 0.56 -0.2869 -0.7249 -0.7249 0.7249 0.7249 0.06 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 183 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 19 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371F0783000000000000000000000000000000000000000000000000000000000000000001A00000800000800A0800202000000060000000000000000000000000000000000000001100200000002000004000003000180C0A00000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-octadecoxyethanol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-octadecoxyethanol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-octadecoxyethanol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-octadecoxyethanol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-stearyloxyethanol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C20H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h21H,2-20H2,1H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 ICIDSZQHPUZUHC-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 8.4 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 314.318481 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C20H42O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 314.54628 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CCCCCCCCCCCCCCCCCCOCCO SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CCCCCCCCCCCCCCCCCCOCCO Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 29.5 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 314.318481 22 0 0 0 0 0 0 0 1 1