3051 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 8 8 8 8 8 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 5 6 6 6 7 7 7 8 8 8 9 9 9 7 10 6 11 10 11 11 10 9 12 13 8 14 15 19 20 21 16 17 18 1 1 1 1 1 1 2 2 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 3.732 7.1962 5.4641 6.3301 4.5981 8.0622 2.866 2 8.9282 4.5981 6.3301 7.6636 8.4607 2.4675 3.2646 9.2382 9.4651 8.6182 2.31 1.4631 1.69 0.75 0.75 0.75 -0.75 -0.75 0.25 0.25 0.75 0.75 0.25 0.25 -0.2249 -0.2249 -0.2249 -0.2249 0.2131 1.06 1.2869 1.2869 1.06 0.2131 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 126 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 5 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0603800000000000000000000000000000000000000000000000000000000000000001A00000000000000A080020208000004000800000008000000000000000000000000001000000000002000000000000400000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 ethoxycarbonyl ethyl carbonate IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 carbonic acid ethoxycarbonyl ethyl ester IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 ethoxycarbonyl ethyl carbonate IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 ethoxycarbonyl ethyl carbonate IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 carbonic acid carbethoxy ethyl ester InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C6H10O5/c1-3-9-5(7)11-6(8)10-4-2/h3-4H2,1-2H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 FFYPMLJYZAEMQB-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.4 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 162.052823 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C6H10O5 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 162.1406 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CCOC(=O)OC(=O)OCC SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CCOC(=O)OC(=O)OCC Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 61.8 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 162.052823 11 0 0 0 0 0 0 0 1 1