81860 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 8 8 8 8 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 3 3 4 4 5 5 5 6 6 7 7 7 8 8 9 9 9 10 10 11 11 11 12 12 12 13 13 13 5 7 6 9 8 11 10 13 6 14 15 16 17 8 18 19 20 21 10 22 23 24 25 12 26 27 28 29 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 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 8.0622 5.4641 10.6603 2.866 7.1962 6.3301 8.9282 9.7942 4.5981 3.732 11.5263 12.3923 2 6.7976 7.5947 6.7287 5.9316 8.5297 9.3267 10.1928 9.3957 4.9966 4.1996 3.3335 4.1306 11.9248 11.1278 12.0823 12.9292 12.7023 1.69 1.4631 2.31 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 -0.7249 -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 -0.7869 -0.56 0.2869 0.2869 -0.56 -0.7869 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 87.7 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 10 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371E0703800000000000000000000000000000000000000000000000000000000000000001A00000000000000A080020200000004000000000000000000000000000000000000000100000000000200000000000200000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 1-[2-(2-ethoxyethoxy)ethoxy]-2-methoxy-ethane IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 1-[2-(2-ethoxyethoxy)ethoxy]-2-methoxyethane IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 1-[2-(2-ethoxyethoxy)ethoxy]-2-methoxyethane IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 1-[2-(2-ethoxyethoxy)ethoxy]-2-methoxy-ethane IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 1-[2-(2-ethoxyethoxy)ethoxy]-2-methoxy-ethane InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C9H20O4/c1-3-11-6-7-13-9-8-12-5-4-10-2/h3-9H2,1-2H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 JRRDISHSXWGFRF-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -0.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 192.136159 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C9H20O4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 192.2527 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CCOCCOCCOCCOC SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CCOCCOCCOCCOC Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 36.9 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 192.136159 13 0 0 0 0 0 0 0 1 1