5281365 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 55 8 6 6 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 1 1 2 2 2 2 3 3 3 4 4 5 5 5 6 6 6 7 7 7 7 8 9 10 10 10 11 11 11 12 12 12 13 13 14 14 14 15 15 16 16 16 17 17 18 18 19 19 20 20 20 21 21 21 19 55 3 4 22 23 8 24 25 9 12 6 8 14 11 26 27 9 10 28 29 30 31 13 32 33 15 34 35 36 37 38 16 18 39 40 41 17 42 43 44 45 20 21 19 46 47 48 49 50 51 52 53 54 1 1 1 1 1 1 1 1 1 2 1 1 2 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 1 1 1 1 1 1 1 1 1 1 4 2 12 9 31 7 2 1 5 6 14 8 30 3 2 1 13 10 16 18 46 19 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 50 51 52 53 54 55 2.5369 9.4651 10.3312 8.5991 12.0632 12.9292 6.8671 11.1972 7.7331 6.001 13.7953 8.5991 5.135 12.0632 14.6613 5.135 15.5273 4.269 3.403 16.3933 15.5273 9.8637 9.0666 9.9326 10.7297 13.3278 12.5307 6.4685 7.2656 11.1972 7.7331 6.3996 5.6025 13.3967 14.1938 7.9791 8.5991 9.2191 11.4432 12.0632 12.6832 14.6613 4.515 5.135 5.755 4.269 3.0044 3.8015 16.7033 16.9303 16.0833 14.9073 15.5273 16.1473 2 0.44 0.44 -0.06 -0.06 -0.06 0.44 -0.06 0.44 0.44 0.44 -0.06 -1.06 -0.06 -1.06 0.44 -1.06 -0.06 0.44 -0.06 0.44 -1.06 0.9149 0.9149 -0.5349 -0.5349 0.9149 0.9149 -0.5349 -0.5349 1.06 1.06 0.9149 0.9149 -0.5349 -0.5349 -1.06 -1.68 -1.06 -1.06 -1.68 -1.06 1.06 -1.06 -1.68 -1.06 1.06 -0.5349 -0.5349 -0.0969 0.75 0.9769 -1.06 -1.68 -1.06 0.13 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 390 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 10 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371F0782000000000000000000000000000000000000000000000000000000000000000001A00000800000C00A080020200000002008002204200000000002000000008000000080014020001000010000080000810020000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2E,6E,10E)-3,7,11,15-tetramethyl-1-hexadeca-2,6,10,14-tetraenol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2<I>E</I>,6<I>E</I>,10<I>E</I>)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3/b18-11+,19-13+,20-15+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OJISWRZIEWCUBN-QIRCYJPOSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 6.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 290.260965704 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H34O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 290.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 20.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 290.260965704 21 0 0 0 3 3 0 0 1 -1