71571543 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 8 8 8 8 8 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 6 6 6 7 7 8 8 9 10 10 11 12 12 13 6 8 7 20 9 10 11 12 13 25 7 14 15 16 17 9 18 19 11 21 22 13 23 24 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 8 1 18 9 19 3 2 1 10 3 21 11 22 4 2 1 12 4 23 13 5 24 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 9.4651 12.0632 6.8671 4.269 2.5369 10.3312 11.1972 8.5991 7.7331 6.001 5.135 3.403 2.5369 9.9326 10.7297 11.5957 10.7987 8.5991 7.7331 12.6002 6.001 5.135 3.403 2 2 -0.095 -0.595 -0.595 -0.095 0.905 -0.595 -0.095 -0.595 -0.095 -0.095 -0.595 -0.595 -0.095 -1.07 -1.07 0.3799 0.3799 -1.215 0.525 -0.285 0.525 -1.215 -1.215 -0.405 1.215 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 173 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0703800000000000000000000000000000000000000000000000000000000000000001A00000800000000A080020000000006008000000200000008000000000800000000000110000000000000000000000300000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(E)-2-[(E)-2-[(Z)-2-hydroxyvinyloxy]vinyloxy]vinyloxy]ethanol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(E)-2-[(E)-2-[(Z)-2-hydroxyethenoxy]ethenoxy]ethenoxy]ethanol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(<I>E</I>)-2-[(<I>E</I>)-2-[(<I>Z</I>)-2-hydroxyethenoxy]ethenoxy]ethenoxy]ethanol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(E)-2-[(E)-2-[(Z)-2-hydroxyethenoxy]ethenoxy]ethenoxy]ethanol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(E)-2-[(E)-2-[(Z)-2-oxidanylethenoxy]ethenoxy]ethenoxy]ethanol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(E)-2-[(E)-2-[(Z)-2-hydroxyvinyloxy]vinyloxy]vinyloxy]ethanol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C8H12O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1,3,5-10H,2,4H2/b3-1-,7-5+,8-6+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 NQKWEPDOJOIIKF-KQQSPCLJSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -0.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 188.06847348 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C8H12O5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 188.18 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(COC=COC=COC=CO)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(CO/C=C/O/C=C/O/C=C\O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 68.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 188.06847348 13 0 0 0 3 3 0 0 1 -1