8089 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 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 6 6 6 6 6 6 6 6 6 6 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 11 11 12 12 12 12 13 13 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 30 30 30 3 5 17 31 4 6 18 32 7 33 34 8 35 36 9 37 38 10 39 40 8 41 42 43 44 13 45 46 14 47 48 13 15 21 49 14 16 22 50 51 52 53 54 19 55 56 20 57 58 59 60 61 62 63 64 23 65 66 24 67 68 69 70 71 72 73 74 25 75 76 26 77 78 27 28 79 29 30 80 81 82 83 84 85 86 87 88 89 90 91 92 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 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 3 5 17 31 3 1 2 4 6 18 32 3 1 11 13 15 21 49 3 1 12 14 16 22 50 3 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 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 14.1244 9.7942 13.2583 10.6603 14.9904 8.9282 12.3923 11.5263 15.8564 8.0622 17.5885 6.3301 16.7224 7.1962 18.4545 5.4641 14.1244 9.7942 19.3205 4.5981 17.5885 6.3301 20.1865 3.732 21.0526 2.866 21.9186 21.0526 2 2.866 13.5874 9.2573 12.8598 13.6569 11.0588 10.2617 14.5919 15.3889 9.3267 8.5297 12.7908 11.9938 11.1278 11.9248 16.2549 15.4579 7.6636 8.4607 18.1254 6.8671 16.3239 17.121 7.5947 6.7976 18.056 18.853 5.8626 5.0656 14.7444 14.1244 13.5044 9.1742 9.7942 10.4142 19.719 18.922 4.1996 4.9966 18.2085 17.5885 16.9685 5.7101 6.3301 6.9501 19.788 20.5851 4.1306 3.3335 21.0526 2.866 21.6086 22.4555 22.2286 21.6726 21.0526 20.4326 2.31 1.4631 1.69 2.246 2.866 3.486 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 1.25 -1.25 0.25 -0.25 1.25 -1.25 -0.25 0.25 0.25 -0.25 -0.25 1.25 0.25 -1.25 0.56 -0.56 -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 0.56 -0.56 -0.7249 -0.7249 0.7249 0.7249 -0.7249 -0.7249 0.7249 0.7249 1.25 1.87 1.25 -1.25 -1.87 -1.25 0.7249 0.7249 -0.7249 -0.7249 1.25 1.87 1.25 -1.25 -1.87 -1.25 -0.7249 -0.7249 0.7249 0.7249 -0.37 0.37 -0.7869 -0.56 0.2869 1.25 1.87 1.25 0.7869 0.56 -0.2869 -1.25 -1.87 -1.25 3 3 3 3 1 2 11 12 17 18 21 22 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 308 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 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 00000371F0780000000000000000000000000000000000000000000000000000000000000000001800000000000D008000000200000000000000000000000000000000000000000000000000020000000000000000000000010080C00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,6,10,15,19,23-hexamethyltetracosane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,6,10,15,19,23-hexamethyltetracosane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,6,10,15,19,23-hexamethyltetracosane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,6,10,15,19,23-hexamethyltetracosane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,6,10,15,19,23-hexamethyltetracosane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,6,10,15,19,23-hexamethyltetracosane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 PRAKJMSDJKAYCZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 14.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 422.485151978 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C30H62 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 422.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 422.485151978 30 4 0 4 0 0 0 0 1 -1