65577 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 15 8 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 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 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 2 3 4 5 6 27 28 7 29 30 8 31 32 9 33 34 10 35 36 11 37 38 12 39 40 13 41 42 14 43 44 15 45 46 16 47 48 17 49 50 18 51 52 19 53 54 20 55 56 21 57 58 22 59 60 23 61 62 24 63 64 25 65 66 26 67 68 69 70 71 72 73 74 75 76 77 2 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 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 8.9282 9.4282 9.7942 8.0622 8.4282 10.6603 7.1962 8.9282 11.5263 6.3301 8.4282 12.3923 5.4641 8.9282 13.2583 4.5981 8.4282 14.1244 3.732 8.9282 14.9904 2.866 8.4282 15.8564 2 8.9282 10.1928 9.3957 7.6636 8.4607 7.9533 7.9533 10.2617 11.0588 7.5947 6.7976 9.4032 9.4032 11.9248 11.1278 5.9316 6.7287 7.9533 7.9533 11.9938 12.7908 5.8626 5.0656 9.4032 9.4032 13.6569 12.8598 4.1996 4.9966 7.9533 7.9533 13.7258 14.5229 4.1306 3.3335 9.4032 9.4032 15.3889 14.5919 2.4675 3.2646 7.9533 7.9533 15.5464 16.3933 16.1664 2.31 1.4631 1.69 9.4651 9.2382 8.3913 -3.0311 -3.8971 -2.5311 -3.5311 -2.1651 -3.0311 -3.0311 -1.299 -2.5311 -3.5311 -0.433 -3.0311 -3.0311 0.433 -2.5311 -3.5311 1.299 -3.0311 -3.0311 2.1651 -2.5311 -3.5311 3.0311 -3.0311 -3.0311 3.8971 -2.0561 -2.0561 -4.006 -4.006 -1.7665 -2.5636 -3.506 -3.506 -2.5561 -2.5561 -1.6976 -0.9005 -2.0561 -2.0561 -4.006 -4.006 -0.0345 -0.8315 -3.506 -3.506 -2.5561 -2.5561 0.0345 0.8315 -2.0561 -2.0561 -4.006 -4.006 1.6976 0.9005 -3.506 -3.506 -2.5561 -2.5561 1.7665 2.5636 -2.0561 -2.0561 -4.006 -4.006 3.4296 2.6326 -3.568 -3.3411 -2.4942 -2.4942 -2.7211 -3.568 3.5871 4.434 4.2071 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 266 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 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 00000371F07820020000000000000000000000000000000000000000000000000000000000000018080000200008008800000200000000200040000000000000000000000000000000000000020000000000000000000000010080800000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-dioctylphosphoryloctane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-dioctylphosphoryloctane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-dioctylphosphoryloctane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-dioctylphosphoryloctane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-dioctylphosphoryloctane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-dioctylphosphoryloctane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C24H51OP/c1-4-7-10-13-16-19-22-26(25,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ZMBHCYHQLYEYDV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 9.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 386.36775324 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C24H51OP Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 386.6 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCP(=O)(CCCCCCCC)CCCCCCCC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCP(=O)(CCCCCCCC)CCCCCCCC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 17.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 386.36775324 26 0 0 0 0 0 0 0 1 -1