80290 1 2 3 4 5 6 7 8 9 10 11 12 13 8 6 6 6 6 1 1 1 1 1 1 1 1 6 2 7 2 8 2 9 2 10 2 11 2 12 2 13 2 1 1 2 2 2 2 3 3 3 4 4 5 5 4 5 3 4 6 7 5 8 9 10 11 12 13 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 3.8987 3.3987 2.5896 4.2077 2.8987 3.7631 3.0342 2 2.2252 4.7973 4.5721 2.8987 2.309 -0.7102 0.8286 0.2408 0.2408 -0.7102 1.3302 1.3302 0.0492 0.7424 0.0492 0.7424 -1.3302 -0.9018 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 22.8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 0 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371C0602000000000000000000000000000000120000000000000000000000000000000001A00000000000800A080020000000004000000000000000000000000000000000000000000000000000200000400000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 2,2,3,3,4,4,5,5-octadeuteriotetrahydrofuran IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 2,2,3,3,4,4,5,5-octadeuteriooxolane IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 2,2,3,3,4,4,5,5-octadeuteriooxolane IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 2,2,3,3,4,4,5,5-octadeuteriooxolane IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 2,2,3,3,4,4,5,5-octadeuteriotetrahydrofuran InChI Standard 1 1.0.4 InChI nist.gov 2012.02.08 InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2/i1D2,2D2,3D2,4D2 InChIKey Standard 1 1.0.4 InChI nist.gov 2012.02.08 WYURNTSHIVDZCO-SVYQBANQSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2012.02.08 0.5 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 80.107729 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C4H8O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 80.155014 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 C1CCOC1 SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 [2H]C1(C(C(OC1([2H])[2H])([2H])[2H])([2H])[2H])[2H] Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 9.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 80.107729 5 0 0 0 0 0 0 8 1 1