15050 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 8 8 8 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 5 5 5 6 6 6 7 7 7 8 8 8 4 7 4 6 4 8 5 9 10 11 18 19 20 15 16 17 12 13 14 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 4.5981 2.866 3.232 3.732 4.232 2 5.4641 3.732 3.6951 4.542 4.769 4.269 4.042 3.1951 5.1541 6.001 5.7741 2.31 1.4631 1.69 0.067 -0.933 0.433 -0.433 -1.299 -0.433 -0.433 1.299 -1.609 -1.836 -0.989 0.989 1.836 1.609 -0.9699 -0.743 0.1039 0.1039 -0.123 -0.9699 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 50.4 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 3 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0603000000000000000000000000000000000000000000000000000000000000000001A000000000000008080020208000004000000000000000000000000000000000000001000000000002000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 1,1,1-trimethoxyethane IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 1,1,1-trimethoxyethane IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 1,1,1-trimethoxyethane IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 1,1,1-trimethoxyethane IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 1,1,1-trimethoxyethane InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C5H12O3/c1-5(6-2,7-3)8-4/h1-4H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 HDPNBNXLBDFELL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 0.2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 120.078644 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C5H12O3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 120.14698 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CC(OC)(OC)OC SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CC(OC)(OC)OC Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 27.7 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 120.078644 8 0 0 0 0 0 0 0 1 1