16682930 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 13 6 6 6 6 6 6 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 2 3 4 5 12 13 7 10 11 6 8 9 14 15 16 17 18 19 20 21 22 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 3.732 4.5981 2.866 3.732 5.4641 2.866 2 3.9441 4.3426 3.2646 2.4675 4.9966 4.1996 5.1541 6.001 5.7741 2.556 2.3291 3.176 1.69 1.4631 2.31 0.5 1 1 -0.5 0.5 -1 0.5 -1.0826 -0.3923 1.475 1.475 1.475 1.475 -0.0369 0.19 1.0369 -0.4631 -1.31 -1.5369 1.0369 0.19 -0.0369 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 25.7 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 0 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371C06000000000100000000000000000000000000000000000000000000000000000000018200000000000008000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 triethylalumane IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 triethylalumane IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 triethylalumane IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 triethylalumane IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 triethylalumane InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/3C2H5.Al/c3*1-2;/h3*1H2,2H3; InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 VOITXYVAKOUIBA-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 114.098914 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C6H15Al Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 114.164839 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 CC[Al](CC)CC SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 CC[Al](CC)CC Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 0 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 114.098914 7 0 0 0 0 0 0 0 1 1