50932522 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 8 8 8 8 8 8 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 5 2 2 3 3 4 4 5 5 6 6 7 7 8 8 8 9 9 10 10 10 11 11 12 12 12 13 13 8 31 9 30 10 29 11 28 12 27 13 26 9 14 15 16 17 11 18 19 20 21 13 22 23 24 25 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 0 3.0369 5.635 3.0369 5.635 3.0369 5.635 3.903 4.769 3.903 4.769 3.903 4.769 3.5044 4.3015 5.1675 4.3705 3.5044 4.3015 5.1675 4.3705 3.5044 4.3015 5.1675 4.3705 6.172 2.5 6.172 2.5 6.172 2.5 3.9248 0.9749 0.4749 4.4248 3.9248 7.8747 7.3747 0.4749 0.9749 3.9248 4.4248 7.3747 7.8747 0 0 1.4499 1.4499 3.4499 3.4499 4.8998 4.8998 6.8998 6.8998 8.3497 8.3497 7.6847 7.5647 4.2348 4.1148 0.7849 0.6649 0 Compound Canonicalized 5 2011.01.31 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 6 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 00000371E0603800000000008000000000000000000000000000000000000000000000000000001A00000800000000A080020000000002000000000000000000000000000000000000000110000000000000000000000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 ethylene glycol;germanium IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 ethane-1,2-diol;germanium IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 ethane-1,2-diol;germanium IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 ethane-1,2-diol;germanium IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 ethylene glycol;germanium InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/3C2H6O2.Ge/c3*3-1-2-4;/h3*3-4H,1-2H2; InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 BZYCKIZGEDWMOA-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 260.031516 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C6H18GeO6 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 258.84352 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 C(CO)O.C(CO)O.C(CO)O.[Ge] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 C(CO)O.C(CO)O.C(CO)O.[Ge] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 121 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 260.031516 13 0 0 0 0 0 0 0 4 1