2733548 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 34 35 36 37 38 39 40 41 42 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 5 5 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 2 2 3 3 4 4 5 5 5 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 5 17 6 17 7 18 8 18 6 9 10 11 12 8 13 14 15 16 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 18 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 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 34 35 36 37 38 39 40 41 42 4.2601 2.642 4.2601 2.642 3.9511 2.9511 3.9511 2.9511 4.9021 3.9511 2 2.9511 4.9021 3.9511 2 2.9511 3.4511 3.4511 4.7105 5.4918 5.0937 3.3311 3.9511 4.5711 1.8084 1.4103 2.1916 2.3311 2.9511 3.5711 5.0937 5.4918 4.7105 4.5711 3.9511 3.3311 2.1916 1.4103 1.8084 3.5711 2.9511 2.3311 -1.0878 -1.0878 1.0878 1.0878 -2.0388 -2.0388 2.0388 2.0388 -2.3479 -3.0388 -2.3479 -3.0388 2.3479 3.0388 2.3479 3.0388 -0.5 0.5 -2.9375 -2.5394 -1.7582 -3.0388 -3.6588 -3.0388 -1.7582 -2.5394 -2.9375 -3.0388 -3.6588 -3.0388 1.7582 2.5394 2.9375 3.0388 3.6588 3.0388 2.9375 2.5394 1.7582 3.0388 3.6588 3.0388 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 286 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E3703800000000000000000000000000000122400000000000000000000000000000481A00000000000C448080000200000000000000000000000000000000000000000000000100000000000000000000000000000000000880000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H24B2O4/c1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h1-8H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 IPWKHHSGDUIRAH-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 254.1860696 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H24B2O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 253.9 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C 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 2021.10.14 254.1860696 18 0 0 0 0 0 0 0 1 -1