5281119 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 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 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 11 11 11 11 12 12 12 13 14 14 14 16 16 16 15 42 15 4 5 17 18 6 19 20 7 21 22 8 23 24 9 25 26 10 27 28 15 29 30 13 31 12 13 32 33 14 34 35 36 16 37 38 39 40 41 1 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 10 8 31 13 11 36 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 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 2.5369 3.403 6.8671 7.7331 6.001 8.5991 5.135 9.4651 4.269 10.3312 11.1972 12.0632 11.1972 12.0632 3.403 12.9292 6.4685 7.2656 8.1316 7.3346 6.3996 5.6025 8.2006 8.9976 4.7365 5.5335 9.8637 9.0666 4.6675 3.8705 10.3312 10.9851 10.5866 12.2753 12.6738 11.7341 11.8512 11.4526 13.2392 13.4662 12.6192 2 -0.75 -2.25 -1.25 -0.75 -0.75 -1.25 -1.25 -0.75 -0.75 -1.25 0.25 0.75 -0.75 1.75 -1.25 2.25 -1.725 -1.725 -0.2751 -0.2751 -0.2751 -0.2751 -1.725 -1.725 -1.725 -1.725 -0.2751 -0.2751 -0.2751 -0.2751 -1.87 0.8326 0.1423 0.1674 0.8577 -1.06 2.3326 1.6423 1.7131 2.56 2.7869 -1.06 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 185 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 11 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371E0703000000000000000000000000000000000000000000000000000000000000000001A00000800000800808000020800000200880020D2080000000020000008080100000800001200010000400004800008000388C8A08000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 (Z)-tetradec-9-enoic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 (Z)-9-tetradecenoic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 (Z)-tetradec-9-enoic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 (Z)-tetradec-9-enoic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 myristoleic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5- InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 YWWVWXASSLXJHU-WAYWQWQTSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 5.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 226.19328 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C14H26O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 226.35504 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CCCCC=CCCCCCCCC(=O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CCCC/C=C\CCCCCCCC(=O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 37.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 226.19328 16 0 0 0 1 1 0 0 1 1