91497 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 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 2 2 2 2 3 3 3 4 4 4 5 5 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 13 13 14 14 15 16 16 16 17 17 18 18 19 19 19 17 18 3 4 7 20 5 8 9 6 10 11 6 12 13 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 14 36 15 37 15 16 17 18 19 38 39 40 41 42 43 44 45 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 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 7 20 3 1 16 14 18 19 38 3 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 2 7.0619 6.4783 6.4783 5.5321 5.5321 8.0619 7.2883 6.1709 7.2883 6.1709 4.666 4.666 3.8 3.8 2.9061 2.9061 2 2.9176 7.3436 8.0619 8.6819 8.0619 7.6519 7.7905 6.9248 6.7609 5.9803 5.5809 6.9248 7.7905 7.6519 5.5809 5.9803 6.7609 4.666 4.666 2.3721 2.5124 3.3107 1.7909 1.3891 3.5376 2.9248 2.2977 -0.66 -0.1391 0.6656 -0.9439 0.3609 -0.6391 -0.1391 1.252 1.6172 -1.5303 -1.8955 0.8609 -1.1391 0.3609 -0.6391 0.8955 -1.1738 0.3817 1.8955 -0.6914 -0.7591 -0.1391 0.4809 0.7498 1.6155 1.7542 1.8078 2.2072 1.4266 -2.0325 -1.8938 -1.028 -1.7049 -2.4854 -2.086 1.4809 -1.7591 1.2107 -1.6528 -1.6436 0.9654 0.2756 1.8883 2.5154 1.9026 3 8 8 8 8 8 8 3 2 5 5 6 12 13 14 16 7 6 12 13 14 15 15 19 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 357 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371E0782000000000000000000000000000000180000000344000000000000060910000001A00000000000F00A0980232008000040080022042000002000020000000880000088808262280311882300024C00108A80780C0F00FC0000200001000008000040000200001000008000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g][2]benzopyran IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopent[g]isochromene InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 ONKNPOPIGWHAQC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 4.8 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 258.198365 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C18H26O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 258.39844 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 9.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 258.198365 19 2 0 2 0 0 0 0 1 1