5364713 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 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 2 2 3 3 3 3 4 4 4 5 5 5 6 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 18 19 19 20 20 20 21 21 21 22 22 19 21 22 62 4 5 23 24 7 25 26 9 27 28 8 10 29 30 12 31 32 11 33 34 14 35 36 13 37 38 15 39 40 17 41 42 16 43 44 19 45 46 18 47 48 20 49 50 18 51 52 53 54 55 56 57 22 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 2 1 1 1 1 1 1 1 1 1 1 1 1 17 12 51 18 15 52 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 5.135 2.5369 9.4651 10.3312 8.5991 15.5273 11.1972 14.6613 7.7331 15.5273 14.6613 12.0632 16.3933 6.8671 13.7953 16.3933 12.9292 13.7953 6.001 17.2594 4.269 3.403 9.8637 9.0666 9.9326 10.7297 8.2006 8.9976 16.1379 15.7394 11.5957 10.7987 14.0507 14.4492 8.1316 7.3346 14.9167 15.3153 15.2719 14.8733 11.6647 12.4617 17.0039 16.6054 6.4685 7.2656 13.1847 13.5832 15.7828 16.1813 12.9292 14.3322 6.3996 5.6025 16.9494 17.7963 17.5694 4.6675 3.8705 3.0044 3.8015 2 2.44 2.94 2.94 2.44 2.44 -0.56 2.94 -0.06 2.94 -1.56 0.94 2.44 -2.06 2.44 1.44 -3.06 2.94 2.44 2.94 -3.56 2.94 2.44 3.415 3.415 1.965 1.965 1.965 1.965 -0.6677 0.0226 3.415 3.415 0.0477 -0.6426 3.415 3.415 -1.4523 -2.1426 0.8323 1.5226 1.965 1.965 -2.1677 -1.4774 1.965 1.965 1.5477 0.8574 -2.9523 -3.6426 3.56 2.75 3.415 3.415 -4.0969 -3.87 -3.0231 3.415 3.415 1.965 1.965 2.63 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 214 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 18 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371F0783000000000000000000000000000000000000000000000000000000000000000001A00000800000800A080020200000006008000204200000000002000000808000000080110020001000200000480000B000380C0A00000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(Z)-octadec-9-enoxy]ethanol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(Z)-octadec-9-enoxy]ethanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(<I>Z</I>)-octadec-9-enoxy]ethanol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(Z)-octadec-9-enoxy]ethanol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(Z)-octadec-9-enoxy]ethanol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(Z)-octadec-9-enoxy]ethanol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h9-10,21H,2-8,11-20H2,1H3/b10-9- InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 KWVPFECTOKLOBL-KTKRTIGZSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 7.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 312.302830514 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H40O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 312.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCC=CCCCCCCCCOCCO SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCC/C=C\CCCCCCCCOCCO Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 29.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 312.302830514 22 0 0 0 1 1 0 0 1 -1