136144 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 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 2 2 2 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 2 3 12 13 4 14 15 5 16 17 6 18 19 7 20 21 8 22 23 9 24 25 10 26 27 11 28 29 11 30 31 32 33 1 1 1 1 1 1 1 1 1 1 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 3.7567 2.7972 4.7162 2.1423 5.371 2 5.5133 2.4154 5.0979 3.2567 4.2567 3.397 3.7567 2.2216 3.1324 4.6867 4.381 1.5335 2.7063 5.681 4.807 1.5513 2.6137 6.0644 4.8996 2.2692 2.884 5.7151 4.6294 3.4594 3.4313 4.744 4.082 -1.7388 -1.4571 -1.4571 -0.7013 -0.7013 0.2885 0.2885 1.1982 1.1982 1.7388 1.7388 -2.2438 -1.1188 -1.6875 -0.9355 -2.0764 -0.9355 -0.584 -0.4437 -1.2382 -0.4437 0.7164 0.2003 0.0044 0.2003 1.8007 0.7921 1.2571 0.7921 2.3247 1.1439 2.1221 1.1439 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 38.1 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 00000371E07000000000000000000000000000000000000000000000000000000000000000000018000000000008008000000000000000000000000000000000000000000000000000000000020000000000000000000000010080800000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cycloundecane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cycloundecane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cycloundecane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cycloundecane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cycloundecane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cycloundecane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C11H22/c1-2-4-6-8-10-11-9-7-5-3-1/h1-11H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 KYTNZWVKKKJXFS-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 6.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 154.172150702 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C11H22 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 154.29 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCCCCCCCCC1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCCCCCCCCC1 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 2021.10.14 154.172150702 11 0 0 0 0 0 0 0 1 -1