8103 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 8 6 6 6 6 6 6 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 7 7 7 6 21 3 4 8 9 5 10 11 6 12 13 7 14 15 16 17 18 19 20 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 7.1962 4.5981 3.732 5.4641 2.866 6.3301 2 4.1996 4.9966 4.1306 3.3335 5.8626 5.0656 2.4675 3.2646 5.9316 6.7287 2.31 1.4631 1.69 7.7331 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 0.7869 0.56 -0.2869 -0.06 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 27.4 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0602000000000000000000000000000000000000000000000000000000000000000001A00000800000800A080020200000002000000000000000000000000000000000000000010020000000040000400000000018040000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 hexan-1-ol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 1-hexanol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 hexan-1-ol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 hexan-1-ol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 hexan-1-ol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 ZSIAUFGUXNUGDI-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 102.104465 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C6H14O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 102.17476 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CCCCCCO SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CCCCCCO 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 2011.09.13 102.104465 7 0 0 0 0 0 0 0 1 1