15600 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 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 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 2 3 11 12 4 13 14 5 17 18 6 15 16 7 19 20 8 21 22 9 23 24 10 25 26 27 28 29 30 31 32 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 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 5.4641 6.3301 4.5981 7.1962 3.732 8.0622 2.866 8.9282 2 9.7942 5.0656 5.8626 6.7287 5.9316 6.7976 7.5947 4.9966 4.1996 3.3335 4.1306 8.4607 7.6636 3.2646 2.4675 8.5297 9.3267 1.69 1.4631 2.31 10.1042 10.3312 9.4842 -0.25 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 -0.7249 -0.7249 0.2869 -0.56 -0.7869 -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 40 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 7 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 decane IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 decane IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 decane IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 decane IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 decane InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 DIOQZVSQGTUSAI-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 5 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 142.172151 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C10H22 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 142.28168 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CCCCCCCCCC SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CCCCCCCCCC 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 2011.09.13 142.172151 10 0 0 0 0 0 0 0 1 1