10586 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 8 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 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 11 11 11 12 12 12 13 13 14 14 15 15 15 16 16 16 3 32 3 4 5 17 6 8 7 18 19 10 20 21 11 22 23 9 24 25 26 27 28 10 12 29 13 30 31 33 34 35 14 36 15 16 37 38 39 40 41 42 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 1 2 1 1 1 1 1 1 1 1 1 2 3 4 5 17 3 1 3 1 2 6 8 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 4 3 3 2.134 3.866 3 2.134 2 3 3.866 3.866 3 3.866 4.732 4.732 5.5981 3.5369 1.9219 1.5234 4.4766 4.0781 2.788 2.3894 1.5234 1.9219 2 1.38 2 4.403 4.0781 4.4766 4.31 2.38 3 3.62 3.3291 5.352 4.732 4.112 5.2881 6.135 5.9081 0 -1 0 -1.5 -1.5 1 -2.5 0 -3 -2.5 1.5 -4 2.5 3 4 2.5 -0.69 -0.9174 -1.6077 -1.6077 -0.9174 1.5826 0.8923 -2.3923 -3.0826 0.62 0 -0.62 -2.81 0.9174 1.6077 0.5369 -4 -4.62 -4 2.81 4 4.62 4 1.9631 2.19 3.0369 3 3 2 3 4 1 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 284 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0702000000000000000000000000000000000000000200000000000000000000000001A00000800000D4480800002000000020080022042000000000020000000080000000800000200010000400004800008000380C0C00E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-methyl-2-(4-methyl-1-cyclohex-3-enyl)-5-hepten-2-ol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RGZSQWQPBWRIAQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 222.198365449 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H26O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 222.37 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CCC(CC1)C(C)(CCC=C(C)C)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CCC(CC1)C(C)(CCC=C(C)C)O 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 2021.10.14 222.198365449 16 2 0 2 0 0 0 0 1 1