957 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 8 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 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 9 8 27 3 4 10 11 5 12 13 6 14 15 7 16 17 8 18 19 9 20 21 22 23 24 25 26 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 8.9282 5.4641 4.5981 6.3301 3.732 7.1962 2.866 8.0622 2 5.0656 5.8626 4.9966 4.1996 6.7287 5.9316 3.3335 4.1306 6.7976 7.5947 3.2646 2.4675 8.4607 7.6636 1.69 1.4631 2.31 9.4651 -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 0.2869 -0.56 -0.7869 0.06 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 43.8 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371E0702000000000000000000000000000000000000000000000000000000000000000001A00000800000800A0800202000000020000000000000000000000000000000000000000100200000000400004000000000180C0A00000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 octan-1-ol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 1-octanol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 octan-1-ol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 octan-1-ol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 octan-1-ol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 KBPLFHHGFOOTCA-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 130.135765 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C8H18O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 130.22792 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CCCCCCCCO SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CCCCCCCCO 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 2011.09.13 130.135765 9 0 0 0 0 0 0 0 1 1