2733139 1 2 3 4 5 6 7 8 9 10 8 8 6 6 1 1 1 1 1 1 5 2 6 2 7 2 8 2 9 2 10 2 1 1 2 2 3 3 3 4 4 3 9 4 10 4 5 6 7 8 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 2.5369 5.135 3.403 4.269 3.093 3.713 4.579 3.959 2 5.672 -0.75 0.75 -0.25 0.25 0.2869 -0.7869 -0.2869 0.7869 -0.44 0.44 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 2 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 0000037180403000000000000000000000000000000000000000000000000000000000000000001A00000800000000A080020000000002000000000000000000000000000000000000000110000000000000000000000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 1,1,2,2-tetradeuterio-1,2-dideuteriooxy-ethane IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 1,1,2,2-tetradeuterio-1,2-dideuteriooxyethane IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 1,1,2,2-tetradeuterio-1,2-dideuteriooxyethane IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 1,1,2,2-tetradeuterio-1,2-dideuteriooxy-ethane IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 1,1,2,2-tetradeuterio-1,2-dideuteriooxy-ethane InChI Standard 1 1.0.4 InChI nist.gov 2012.02.08 InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2/i1D2,2D2,3D,4D InChIKey Standard 1 1.0.4 InChI nist.gov 2012.02.08 LYCAIKOWRPUZTN-UFSLNRCZSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2012.02.08 -1.4 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 68.07444 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C2H6O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 68.104811 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 C(CO)O SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 [2H]C([2H])(C([2H])([2H])O[2H])O[2H] Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 40.5 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 68.07444 4 0 0 0 0 0 0 6 1 1