6517 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 28 29 30 31 32 33 14 8 8 8 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 1 1 1 1 2 3 4 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 2 3 4 5 6 7 8 9 10 14 15 11 16 17 12 18 19 13 20 21 22 23 24 25 26 27 28 29 30 31 32 33 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 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 28 29 30 31 32 33 4.5981 5.4641 3.732 4.0981 5.0981 6.3301 2.866 4.5981 4.5981 7.1962 2 4.0981 5.0981 5.9316 6.7287 3.2646 2.4675 5.073 5.073 4.1231 4.1231 7.5062 7.7331 6.8862 1.69 1.4631 2.31 4.635 3.7881 3.5611 4.5611 5.4081 5.635 0 0.5 -0.5 0.866 -0.866 0 -0 1.732 -1.732 0.5 -0.5 2.5981 -2.5981 -0.4749 -0.4749 0.4749 0.4749 1.3335 2.1306 -1.3335 -2.1306 -0.0369 0.81 1.0369 0.0369 -0.81 -1.0369 2.9081 3.135 2.2881 -2.9081 -3.135 -2.2881 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 91.2 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0703808000000000000000000000000000000000000000000000000000000000000001A00000040000000A080020200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 tetraethyl silicate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 tetraethyl silicate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 tetraethyl silicate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 tetraethyl silicate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 tetraethyl silicate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 tetraethyl orthosilicate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C8H20O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 BOTDANWDWHJENH-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 208.11308565 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C8H20O4Si Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 208.33 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCO[Si](OCC)(OCC)OCC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCO[Si](OCC)(OCC)OCC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 36.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 208.11308565 13 0 0 0 0 0 0 0 1 -1