57470306 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 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 16 43 16 44 4 5 17 18 6 19 20 7 21 22 8 23 24 9 25 26 10 27 28 11 29 30 12 31 32 13 33 34 14 35 36 15 37 38 39 40 41 16 42 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 2.5369 3.403 9.4651 10.3312 8.5991 11.1972 7.7331 12.0632 6.8671 12.9292 6.001 13.7953 5.135 14.6613 4.269 3.403 9.8637 9.0666 9.9326 10.7297 8.2006 8.9976 11.5957 10.7987 8.1316 7.3346 11.6647 12.4617 6.4685 7.2656 13.3278 12.5307 6.3996 5.6025 13.3967 14.1938 4.7365 5.5335 14.9713 15.1982 14.3513 4.269 2 2.866 0.905 -0.595 0.905 0.405 0.405 0.905 0.905 0.405 0.405 0.905 0.905 0.405 0.405 0.905 0.905 0.405 1.38 1.38 -0.0699 -0.0699 -0.0699 -0.0699 1.38 1.38 1.38 1.38 -0.0699 -0.0699 -0.0699 -0.0699 1.38 1.38 1.38 1.38 -0.0699 -0.0699 -0.0699 -0.0699 0.3681 1.215 1.4419 1.525 0.595 -0.905 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 160 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 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 11 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0703000000000000000000000000000000000000000000000000000000000000000001A000008000008008080000208000002008000204200000000002020000000000000080000020000000000000080000000010080800000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 tetradec-1-ene-1,1-diol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-tetradecene-1,1-diol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 tetradec-1-ene-1,1-diol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 tetradec-1-ene-1,1-diol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 tetradec-1-ene-1,1-diol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 tetradec-1-ene-1,1-diol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h13,15-16H,2-12H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FUDOTWBYKLBWCY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 6.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 228.208930132 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C14H28O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 228.37 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCCCCCCCC=C(O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCCCCCCCC=C(O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 40.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 228.208930132 16 0 0 0 0 0 0 0 1 -1