8172 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 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 2 2 3 3 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 10 10 5 7 6 8 9 23 10 24 6 13 14 11 12 9 15 16 10 17 18 19 20 21 22 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 5.135 7.7331 2.5369 10.3312 6.001 6.8671 4.269 8.5991 3.403 9.4651 7.2656 6.4685 5.6025 6.3996 3.8705 4.6675 8.9976 8.2006 3.8015 3.0044 9.0666 9.8637 2 10.8681 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 0.06 -0.06 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 49.7 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0603800000000000000000000000000000000000000000000000000000000000000001A00000800000000A080020000000006000000000000000000000000000000000000000110000000000200000000000300000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-[2-(2-hydroxyethoxy)ethoxy]ethanol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-[2-(2-hydroxyethoxy)ethoxy]ethanol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-[2-(2-hydroxyethoxy)ethoxy]ethanol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-[2-(2-hydroxyethyloxy)ethoxy]ethanol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-[2-(2-hydroxyethoxy)ethoxy]ethanol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 ZIBGPFATKBEMQZ-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -1.6 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 150.089209 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C6H14O4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 150.17296 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(COCCOCCO)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(COCCOCCO)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 58.9 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 150.089209 10 0 0 0 0 0 0 0 1 1