65194741 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 8 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 3 3 3 3 4 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 9 11 11 11 12 12 12 13 13 13 10 33 10 4 5 7 10 6 14 15 6 16 17 18 19 8 20 21 9 22 23 11 12 13 24 25 26 27 28 29 30 31 32 1 1 2 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 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 5.366 5.366 3.866 3.866 2.866 2.866 3.866 3 3 4.866 3 2 4 3.866 4.486 2.866 2.246 2.246 2.866 4.4766 4.0781 2.3894 2.788 3.62 3 2.38 2 1.38 2 4 4.62 4 5.986 -0.384 -2.116 -1.25 -2.25 -1.25 -2.25 -0.25 0.25 1.25 -1.25 2.25 1.25 1.25 -2.87 -2.25 -0.63 -1.25 -2.25 -2.87 -0.3577 0.3326 0.3577 -0.3326 2.25 2.87 2.25 1.87 1.25 0.63 0.63 1.25 1.87 -0.384 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 197 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0703000000000000000000000000000600000000000000000000000000000000000001A00000800000E0080800002080000020008000090080000000000000000000100000000001200000000400004000000000188C8D00F00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(3,3-dimethylbutyl)cyclobutanecarboxylic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(3,3-dimethylbutyl)-1-cyclobutanecarboxylic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(3,3-dimethylbutyl)cyclobutane-1-carboxylic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(3,3-dimethylbutyl)cyclobutane-1-carboxylic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(3,3-dimethylbutyl)cyclobutane-1-carboxylic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(3,3-dimethylbutyl)cyclobutanecarboxylic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H20O2/c1-10(2,3)7-8-11(9(12)13)5-4-6-11/h4-8H2,1-3H3,(H,12,13) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 NJIBWXAHPYPVRG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 184.146329876 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H20O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 184.27 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)(C)CCC1(CCC1)C(=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)(C)CCC1(CCC1)C(=O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 37.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 184.146329876 13 0 0 0 0 0 0 0 1 -1