65400696 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 8 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 2 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 8 8 8 10 10 10 11 11 11 12 12 12 9 30 9 4 6 8 9 5 13 14 7 10 15 7 16 17 18 19 11 20 21 22 23 24 12 25 26 27 28 29 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 3 4 6 8 9 3 1 5 4 7 10 15 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 5.7524 4.3511 4.1701 3.3611 3.6701 4.9791 4.6701 3.5823 4.7579 3.0823 2.5878 2 3.0511 2.7947 3.0577 5.5455 5.2891 4.6053 5.2765 4.1396 3.4114 2.5807 2.7179 3.5839 2.0305 2.7587 2.5016 1.6356 1.4984 6.1168 1.0171 2.0352 0.3126 -0.2751 -1.2262 -0.2751 -1.2262 1.1217 1.1217 -2.0352 1.0171 1.8262 0.2618 -0.5273 -1.1292 -0.5273 0.2618 -1.8428 -1.3551 1.3935 1.7176 -1.6708 -2.5368 -2.3996 0.7453 0.4212 2.1906 2.3277 1.4617 1.5187 3 3 3 5 8 10 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 177 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0703000000000000000000000000000000180000000000000000000000000000000001A00000800000F0080800002080000020008000090080000000000000000000100000000001200000000400004000000000188C8D00F00000000000000000000000000000001000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-methyl-1-propyl-cyclopentanecarboxylic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-methyl-1-propyl-1-cyclopentanecarboxylic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-methyl-1-propylcyclopentane-1-carboxylic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-methyl-1-propylcyclopentane-1-carboxylic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-methyl-1-propyl-cyclopentane-1-carboxylic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-methyl-1-propyl-cyclopentanecarboxylic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H18O2/c1-3-5-10(9(11)12)6-4-8(2)7-10/h8H,3-7H2,1-2H3,(H,11,12) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 YPEANZTVLROHRL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 170.130679813 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H18O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 170.25 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCC1(CCC(C1)C)C(=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCC1(CCC(C1)C)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 2021.05.07 170.130679813 12 2 0 2 0 0 0 0 1 -1