6433547 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 8 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 2 2 2 3 3 3 4 4 4 5 5 5 6 6 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 2 24 3 5 7 4 13 14 6 15 16 17 18 19 8 20 12 21 9 10 11 22 23 25 26 27 28 29 30 31 32 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 3 5 7 3 1 6 4 20 8 10 9 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 2.5369 3.403 4.269 5.135 3.903 6.001 2.903 6.8671 7.7331 6.8671 8.5991 3.403 4.6675 3.8705 4.7365 5.5335 3.366 4.213 4.4399 6.001 2.283 8.1316 7.3346 2 6.2471 6.8671 7.4871 8.2891 9.136 8.9091 4.023 3.093 -0.866 -0.366 0.134 -0.366 -1.232 0.134 0.5 -0.366 0.134 -1.366 -0.366 1.366 0.6089 0.6089 -0.841 -0.841 -1.542 -1.769 -0.9221 0.754 0.5 0.6089 0.6089 -0.556 -1.366 -1.986 -1.366 -0.903 -0.676 0.1709 1.366 1.903 3 2 1 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 170 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0702000000000000000000000000000000000000000000000000000000000000000001A00000800000C448080000200000002008002204200000000002000000808000000080004020001000040000480000810020000000C00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (6E)-3,7-dimethylnona-1,6-dien-3-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (6E)-3,7-dimethyl-3-nona-1,6-dienol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (6<I>E</I>)-3,7-dimethylnona-1,6-dien-3-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (6E)-3,7-dimethylnona-1,6-dien-3-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (6E)-3,7-dimethylnona-1,6-dien-3-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (6E)-3,7-dimethylnona-1,6-dien-3-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C11H20O/c1-5-10(3)8-7-9-11(4,12)6-2/h6,8,12H,2,5,7,9H2,1,3-4H3/b10-8+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 KRLBLPBPZSSIGH-CSKARUKUSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 168.151415257 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C11H20O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 168.28 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCC(=CCCC(C)(C=C)O)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC/C(=C/CCC(C)(C=C)O)/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 2021.10.14 168.151415257 12 1 0 1 1 1 0 0 1 -1