136143 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 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 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 2 3 10 11 4 12 13 5 14 15 6 16 17 7 18 19 8 20 21 9 22 23 9 24 25 26 27 1 1 1 1 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 4.8356 4.4936 4.4936 3.6276 3.6276 2.6428 2.6428 2 2 5.333 5.333 4.6366 5.1126 5.1126 4.6366 3.3493 4.0786 4.0786 3.3493 2.0735 2.7148 2.7148 2.0735 1.406 1.6593 1.6593 1.406 0 -0.9397 0.9397 -1.4397 1.4397 -1.266 1.266 -0.5 0.5 -0.3702 0.3702 -1.543 -0.9757 0.9757 1.543 -1.9937 -1.8652 1.8652 1.9937 -1.5116 -1.8818 1.8818 1.5116 -0.3222 -1.018 1.018 0.3222 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 28.5 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07000000000000000000000000000000000000000000000000000000000600000000018000000000008008000000000000000000000000000000000000000000000000000000000020000000000000000000000010080800000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclononane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclononane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclononane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclononane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclononane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclononane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C9H18/c1-2-4-6-8-9-7-5-3-1/h1-9H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GPTJTTCOVDDHER-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 126.140850574 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C9H18 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 126.24 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCCCCCCC1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCCCCCCC1 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 2021.10.14 126.140850574 9 0 0 0 0 0 0 0 1 -1