23724709 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 45 46 47 48 49 8 8 8 6 6 6 6 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 3 3 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 13 13 14 14 15 16 16 16 16 17 17 18 18 18 19 19 20 20 21 12 38 12 15 19 5 6 22 23 7 24 25 8 26 27 9 28 29 10 30 31 11 32 33 12 34 35 13 36 14 37 15 39 40 17 18 41 42 20 43 44 45 46 21 48 21 47 49 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 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 11 9 36 13 14 37 1 1 14 13 39 15 40 3 2 1 17 16 43 20 21 47 1 1 19 3 48 21 49 20 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 45 46 47 48 49 2.5369 3.403 12.0632 6.8671 7.7331 6.001 8.5991 5.135 9.4651 4.269 10.3312 3.403 11.1972 11.1972 12.0632 12.9292 13.7953 12.9292 12.9292 13.7953 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 11.7341 2 10.6603 12.6002 12.3187 12.7172 14.3322 13.5492 12.9292 12.3092 14.3322 13.4662 12.3923 -2.75 -4.25 -0.25 -3.25 -2.75 -2.75 -3.25 -3.25 -2.75 -2.75 -3.25 -3.25 -2.75 -1.75 -1.25 3.25 2.75 4.25 0.25 1.75 1.25 -3.725 -3.725 -2.275 -2.275 -2.275 -2.275 -3.725 -3.725 -3.725 -3.725 -2.275 -2.275 -2.275 -2.275 -3.87 -3.06 -3.06 -1.44 -1.56 3.3577 2.6674 3.06 4.25 4.87 4.25 1.44 -0.06 1.56 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 352 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 13 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0783000000000000000000000000000000000000000000000000000000000000000001A00000800000800A08002020800000600880020D2080000080020200008080100000808001200010000400004800008800388C8A08000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (9Z,11E)-12-[(1E,3Z)-hexa-1,3-dienoxy]dodeca-9,11-dienoic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (9Z,11E)-12-[(1E,3Z)-hexa-1,3-dienoxy]dodeca-9,11-dienoic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (9<I>Z</I>,11<I>E</I>)-12-[(1<I>E</I>,3<I>Z</I>)-hexa-1,3-dienoxy]dodeca-9,11-dienoic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (9Z,11E)-12-[(1E,3Z)-hexa-1,3-dienoxy]dodeca-9,11-dienoic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (9Z,11E)-12-[(1E,3Z)-hexa-1,3-dienoxy]dodeca-9,11-dienoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (9Z,11E)-12-[(1E,3Z)-hexa-1,3-dienoxy]dodeca-9,11-dienoic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H28O3/c1-2-3-4-13-16-21-17-14-11-9-7-5-6-8-10-12-15-18(19)20/h3-4,9,11,13-14,16-17H,2,5-8,10,12,15H2,1H3,(H,19,20)/b4-3-,11-9-,16-13+,17-14+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QWRJRLCIDLDGLM-GTTHPXIQSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 292.20384475 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H28O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 292.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCC=CC=COC=CC=CCCCCCCCC(=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC/C=C\C=C\O/C=C/C=C\CCCCCCCC(=O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 46.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 292.20384475 21 0 0 0 4 4 0 0 1 -1