8141 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 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 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 2 3 10 11 4 14 15 5 12 13 6 16 17 7 18 19 8 20 21 9 22 23 24 25 26 27 28 29 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 5.4641 6.3301 4.5981 7.1962 3.732 8.0622 2.866 8.9282 2 5.0656 5.8626 4.9966 4.1996 6.7287 5.9316 6.7976 7.5947 3.3335 4.1306 8.4607 7.6636 3.2646 2.4675 8.6182 9.4651 9.2382 1.69 1.4631 2.31 -0.25 0.25 0.25 -0.25 -0.25 0.25 0.25 -0.25 -0.25 -0.7249 -0.7249 0.7249 0.7249 0.7249 0.7249 -0.7249 -0.7249 -0.7249 -0.7249 0.7249 0.7249 0.7249 0.7249 -0.7869 -0.56 0.2869 0.2869 -0.56 -0.7869 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 33.3 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 0 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371E07000000000000000000000000000000000000000000000000000000000000000000018000000000008008000000200000000000000000000000000000000000000000000000000020000000000000000000000010080800000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 nonane IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 nonane IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 nonane IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 nonane IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 nonane InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 BKIMMITUMNQMOS-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 4.5 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 128.156501 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C9H20 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 128.2551 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CCCCCCCCC SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CCCCCCCCC Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 0 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 128.156501 9 0 0 0 0 0 0 0 1 1