16666 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 8 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 2 3 3 4 4 4 5 5 5 5 6 6 7 7 8 8 8 9 9 9 10 10 10 11 11 11 3 31 3 4 8 12 6 13 7 14 15 6 7 9 16 17 18 19 20 10 11 21 22 23 24 25 26 27 28 29 30 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 3 4 8 12 1 1 3 1 2 6 13 1 1 5 6 7 9 16 1 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 2.5369 4.269 3.403 5.135 4.269 3.403 5.135 4.269 4.269 5.135 3.403 4.8059 3.403 5.7456 5.3471 4.8059 2.7924 3.1909 5.3471 5.7456 4.269 3.649 4.269 4.889 5.445 5.672 4.825 3.713 2.866 3.093 2 0.75 0.75 0.25 0.25 -1.25 -0.75 -0.75 1.75 -2.25 2.25 2.25 1.06 0.87 0.1423 0.8326 -1.56 -0.6423 -1.3326 -1.3326 -0.6423 2.37 -2.25 -2.87 -2.25 1.7131 2.56 2.7869 2.7869 2.56 1.7131 0.44 6 5 5 2 3 5 8 1 9 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 120 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371E0702000000000000000000000000000000000000000300000000000000000000000001A00000800000D14A0800202000000020000000000000000000000000000000000000000100200000000400004000000000180C0F00E80000000000000008000020000100000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexanol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 (1R,2S,5R)-5-methyl-2-propan-2-yl-1-cyclohexanol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 (1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexan-1-ol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexanol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 NOOLISFMXDJSKH-KXUCPTDWSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 156.151415 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C10H20O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 156.2652 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CC1CCC(C(C1)O)C(C)C SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 20.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 156.151415 11 3 3 0 0 0 0 0 1 1