5280435 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 56 57 58 59 60 61 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 1 1 1 1 1 1 2 2 2 2 3 3 3 4 4 4 4 5 5 5 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 15 16 16 16 17 17 17 18 18 19 19 19 20 20 21 21 21 61 3 7 11 22 5 23 24 6 8 13 25 6 26 27 28 29 9 30 31 12 32 33 10 34 35 14 36 37 38 39 40 15 41 42 43 44 45 16 17 46 18 47 48 49 50 51 52 53 54 19 20 55 56 57 21 58 59 60 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 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 3 7 11 22 1 1 4 6 13 8 25 2 1 18 15 19 20 58 21 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 56 57 58 59 60 61 2.5369 12.0632 11.1972 8.5991 10.3312 9.4651 12.9292 7.7331 13.7953 14.6613 12.0632 6.8671 8.5991 15.5273 6.001 16.3933 15.5273 5.135 5.135 4.269 3.403 12.6002 11.5957 10.7987 8.0622 9.9326 10.7297 9.8637 9.0666 13.3278 12.5307 8.1316 7.3346 13.3967 14.1938 15.0598 14.2628 11.4432 12.0632 12.6832 6.4685 7.2656 7.9791 8.5991 9.2191 15.5273 6.3996 5.6025 16.7033 16.9303 16.0833 14.9073 15.5273 16.1473 4.515 5.135 5.755 4.269 3.0044 3.8015 2 0.44 -0.06 0.44 -0.06 -0.06 0.44 0.44 0.44 -0.06 0.44 -1.06 -0.06 -1.06 -0.06 0.44 0.44 -1.06 -0.06 -1.06 0.44 -0.06 -0.37 0.9149 0.9149 -0.37 -0.5349 -0.5349 0.9149 0.9149 0.9149 0.9149 0.9149 0.9149 -0.5349 -0.5349 0.9149 0.9149 -1.06 -1.68 -1.06 -0.5349 -0.5349 -1.06 -1.68 -1.06 0.56 0.9149 0.9149 -0.0969 0.75 0.9769 -1.06 -1.68 -1.06 -1.06 -1.68 -1.06 1.06 -0.5349 -0.5349 0.13 5 5 2 4 11 13 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 255 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 13 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371F0782000000000000000000000000000000000000000000000000000000000000000001A00000800000D00A080020200000002008002204200000000002000000008000000080014020001000010000080000810030080C00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-ol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (<I>E</I>,7<I>R</I>,11<I>R</I>)-3,7,11,15-tetramethylhexadec-2-en-1-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 BOTWFXYSPFMFNR-PYDDKJGSSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 8.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 296.307915895 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H40O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 296.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C[C@@H](CCC[C@@H](C)CCC/C(=C/CO)/C)CCCC(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 2021.10.14 296.307915895 21 2 2 0 1 1 0 0 1 -1