6560 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 8 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 4 4 4 5 5 5 3 15 3 4 5 6 7 8 9 10 11 12 13 14 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 4.5981 2.866 3.732 2 2.866 2.866 4.1306 3.3335 2.31 1.4631 1.69 2.246 2.866 3.486 5.135 0.25 0.25 0.75 0.75 -0.75 0.87 1.225 1.225 1.2869 1.06 0.2131 -0.75 -1.37 -0.75 0.56 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 17.6 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0602000000000000000000000000000000000000000000000000000000000000000001A00000800000D00A080020200000002000000000000000000000000000000000000000010000000000040000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-methylpropan-1-ol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-methyl-1-propanol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-methylpropan-1-ol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-methylpropan-1-ol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-methylpropan-1-ol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 ZXEKIIBDNHEJCQ-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 0.8 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 74.073165 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C4H10O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 74.1216 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CC(C)CO SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CC(C)CO 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 74.073165 5 0 0 0 0 0 0 0 1 1