57484312 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 50 51 52 53 54 8 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 1 1 1 1 2 2 3 3 4 5 5 5 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 12 12 12 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 5 6 8 33 22 54 22 6 7 23 8 24 9 25 26 11 27 10 28 29 12 30 31 13 32 18 34 35 14 36 15 37 38 16 39 40 17 41 42 19 43 44 45 46 47 20 48 49 21 50 51 22 52 53 1 1 1 1 1 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 1 6 7 23 3 1 6 1 5 8 24 3 1 8 2 6 11 27 3 1 11 8 32 13 14 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 43 44 45 46 47 48 49 50 51 52 53 54 9.4282 8.0622 2.866 2 9.9282 8.9282 10.7942 8.0622 11.6603 12.5263 7.1962 13.3923 6.3301 6.3301 5.4641 5.4641 4.5981 14.2583 4.5981 3.732 3.732 2.866 10.3666 8.4898 11.1928 10.3957 7.5252 11.2617 12.0588 12.9248 12.1278 7.1962 7.5252 12.9938 13.7908 5.7932 6.9407 6.5422 4.8535 5.252 6.0747 5.6762 3.9875 4.386 14.5683 14.7953 13.9483 5.2087 4.8101 3.1215 3.52 4.3426 3.9441 2.3291 -4.338 -1.972 4.028 2.528 -3.472 -3.472 -2.972 -2.972 -3.472 -2.972 -3.472 -3.472 -2.972 -1.972 -1.472 -0.472 0.028 -2.972 1.028 1.528 2.528 3.028 -3.9104 -3.9104 -2.497 -2.497 -2.662 -3.9469 -3.9469 -2.497 -2.497 -4.092 -1.662 -3.9469 -3.9469 -3.282 -2.0796 -1.3894 -1.3643 -2.0546 -0.5796 0.1106 0.1357 -0.5546 -3.5089 -2.662 -2.435 0.9204 1.6106 1.6357 0.9454 2.4204 3.1106 4.338 3 3 3 5 6 8 7 1 2 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 327 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 14 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371F0783800000000000000000000001200000000000000000000000000000000000000001A00000800000814A08002020800000600880020D2080000000020000008080100000801141200010002500005C0000B100388C8A08000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (Z)-11-hydroxy-11-(3-pentyloxiran-2-yl)undec-9-enoic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (Z)-11-hydroxy-11-(3-pentyl-2-oxiranyl)-9-undecenoic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (<I>Z</I>)-11-hydroxy-11-(3-pentyloxiran-2-yl)undec-9-enoic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (Z)-11-hydroxy-11-(3-pentyloxiran-2-yl)undec-9-enoic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (Z)-11-oxidanyl-11-(3-pentyloxiran-2-yl)undec-9-enoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (Z)-11-(3-amyloxiran-2-yl)-11-hydroxy-undec-9-enoic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H32O4/c1-2-3-9-13-16-18(22-16)15(19)12-10-7-5-4-6-8-11-14-17(20)21/h10,12,15-16,18-19H,2-9,11,13-14H2,1H3,(H,20,21)/b12-10- InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 UZCLYICSWADYGM-BENRWUELSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 312.23005950 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H32O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 312.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCC1C(O1)C(C=CCCCCCCCC(=O)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCC1C(O1)C(/C=C\CCCCCCCC(=O)O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 70.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 312.23005950 22 3 0 3 1 1 0 0 1 -1