sodium;bis(2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol);2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl (E)-3-(1-tritylimidazol-4-yl)prop-2-enoate;tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane;chloromethylbenzene;2,3-dihydroxypropyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane;hydride;methane;molecular hydrogen;3-phenylmethoxypropane-1,2-diol;(E)-3-(1-tritylimidazol-4-yl)prop-2-enoic acid

C163H258ClN6NaO28Si8 — CID 160749733

About sodium;bis(2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol);2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl (E)-3-(1-tritylimidazol-4-yl)prop-2-enoate;tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane;chloromethylbenzene;2,3-dihydroxypropyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane;hydride;methane;molecular hydrogen;3-phenylmethoxypropane-1,2-diol;(E)-3-(1-tritylimidazol-4-yl)prop-2-enoic acid

sodium;bis(2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol);2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl (E)-3-(1-tritylimidazol-4-yl)prop-2-enoate;tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane;chloromethylbenzene;2,3-dihydroxypropyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane;hydride;methane;molecular hydrogen;3-phenylmethoxypropane-1,2-diol;(E)-3-(1-tritylimidazol-4-yl)prop-2-enoic acid (PubChem CID 160749733) has the molecular formula C163H258ClN6NaO28Si8 and a molecular weight of 3033.00 g/mol. Its IUPAC name is sodium;bis(2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol);2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl (E)-3-(1-tritylimidazol-4-yl)prop-2-enoate;tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane;chloromethylbenzene;2,3-dihydroxypropyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane;hydride;methane;molecular hydrogen;3-phenylmethoxypropane-1,2-diol;(E)-3-(1-tritylimidazol-4-yl)prop-2-enoic acid.

Molecular Properties

• Compound Name: sodium;bis(2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol);2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl (E)-3-(1-tritylimidazol-4-yl)prop-2-enoate;tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane;chloromethylbenzene;2,3-dihydroxypropyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane;hydride;methane;molecular hydrogen;3-phenylmethoxypropane-1,2-diol;(E)-3-(1-tritylimidazol-4-yl)prop-2-enoic acid
• PubChem CID: 160749733
• Molecular Formula: C163H258ClN6NaO28Si8
• Molecular Weight: 3033.00 g/mol
• Exact Mass: 3029.67
• IUPAC Name: sodium;bis(2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol);2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl (E)-3-(1-tritylimidazol-4-yl)prop-2-enoate;tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane;chloromethylbenzene;2,3-dihydroxypropyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane;hydride;methane;molecular hydrogen;3-phenylmethoxypropane-1,2-diol;(E)-3-(1-tritylimidazol-4-yl)prop-2-enoic acid
• SMILES: C.CC(C)(C)[Si](C)(C)OCC(CO)O[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)OCC(CO)O[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)OCC(COC(=O)/C=C/c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)O[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)OCC(COCc1ccccc1)O[Si](C)(C)C(C)(C)C.CC1(C)OCC(CO)O1.CC1(C)OCC(COCc2ccccc2)O1.ClCc1ccccc1.O=C(/C=C/c1cnc[nH]1)OCC(O)CO.O=C(O)/C=C/c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.OCC(O)COCc1ccccc1.[H-].[H][H].[Na+]
• InChI: InChI=1S/C40H54N2O4Si2.C25H20N2O2.C22H42O3Si2.2C15H36O3Si2.C13H18O3.C10H14O3.C9H12N2O4.C7H7Cl.C6H12O3.CH4.Na.H2.H/c1-38(2,3)47(7,8)45-30-36(46-48(9,10)39(4,5)6)29-44-37(43)27-26-35-28-42(31-41-35)40(32-20-14-11-15-21-32,33-22-16-12-17-23-33)34-24-18-13-19-25-34;28-24(29)17-16-23-18-27(19-26-23)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;1-21(2,3)26(7,8)24-18-20(25-27(9,10)22(4,5)6)17-23-16-19-14-12-11-13-15-19;2*1-14(2,3)19(7,8)17-12-13(11-16)18-20(9,10)15(4,5)6;1-13(2)15-10-12(16-13)9-14-8-11-6-4-3-5-7-11;11-6-10(12)8-13-7-9-4-2-1-3-5-9;12-4-8(13)5-15-9(14)2-1-7-3-10-6-11-7;8-6-7-4-2-1-3-5-7;1-6(2)8-4-5(3-7)9-6;;;;/h11-28,31,36H,29-30H2,1-10H3;1-19H,(H,28,29);11-15,20H,16-18H2,1-10H3;2*13,16H,11-12H2,1-10H3;3-7,12H,8-10H2,1-2H3;1-5,10-12H,6-8H2;1-3,6,8,12-13H,4-5H2,(H,10,11);1-5H,6H2;5,7H,3-4H2,1-2H3;1H4;;1H;/q;;;;;;;;;;;+1;;-1/b27-26+;17-16+;;;;;;2-1+
• InChIKey: QOLGLTPCVVEYAF-GONNBLPISA-N
• XLogP: 32.69
• TPSA: 434.28 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 56
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3033.00
LogP ≤ 5	32.69
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;bis(2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol);2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl (E)-3-(1-tritylimidazol-4-yl)prop-2-enoate;tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane;chloromethylbenzene;2,3-dihydroxypropyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane;hydride;methane;molecular hydrogen;3-phenylmethoxypropane-1,2-diol;(E)-3-(1-tritylimidazol-4-yl)prop-2-enoic acid?

The IUPAC name of sodium;bis(2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol);2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl (E)-3-(1-tritylimidazol-4-yl)prop-2-enoate;tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane;chloromethylbenzene;2,3-dihydroxypropyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane;hydride;methane;molecular hydrogen;3-phenylmethoxypropane-1,2-diol;(E)-3-(1-tritylimidazol-4-yl)prop-2-enoic acid (CID 160749733) is sodium;bis(2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol);2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl (E)-3-(1-tritylimidazol-4-yl)prop-2-enoate;tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane;chloromethylbenzene;2,3-dihydroxypropyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane;hydride;methane;molecular hydrogen;3-phenylmethoxypropane-1,2-diol;(E)-3-(1-tritylimidazol-4-yl)prop-2-enoic acid.

What is the SMILES notation for sodium;bis(2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol);2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl (E)-3-(1-tritylimidazol-4-yl)prop-2-enoate;tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane;chloromethylbenzene;2,3-dihydroxypropyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane;hydride;methane;molecular hydrogen;3-phenylmethoxypropane-1,2-diol;(E)-3-(1-tritylimidazol-4-yl)prop-2-enoic acid?

The canonical SMILES for sodium;bis(2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol);2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl (E)-3-(1-tritylimidazol-4-yl)prop-2-enoate;tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane;chloromethylbenzene;2,3-dihydroxypropyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane;hydride;methane;molecular hydrogen;3-phenylmethoxypropane-1,2-diol;(E)-3-(1-tritylimidazol-4-yl)prop-2-enoic acid is C.CC(C)(C)[Si](C)(C)OCC(CO)O[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)OCC(CO)O[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)OCC(COC(=O)/C=C/c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)O[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)OCC(COCc1ccccc1)O[Si](C)(C)C(C)(C)C.CC1(C)OCC(CO)O1.CC1(C)OCC(COCc2ccccc2)O1.ClCc1ccccc1.O=C(/C=C/c1cnc[nH]1)OCC(O)CO.O=C(O)/C=C/c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.OCC(O)COCc1ccccc1.[H-].[H][H].[Na+].

What is the InChIKey of sodium;bis(2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol);2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl (E)-3-(1-tritylimidazol-4-yl)prop-2-enoate;tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane;chloromethylbenzene;2,3-dihydroxypropyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane;hydride;methane;molecular hydrogen;3-phenylmethoxypropane-1,2-diol;(E)-3-(1-tritylimidazol-4-yl)prop-2-enoic acid?

The InChIKey is QOLGLTPCVVEYAF-GONNBLPISA-N. The full InChI is InChI=1S/C40H54N2O4Si2.C25H20N2O2.C22H42O3Si2.2C15H36O3Si2.C13H18O3.C10H14O3.C9H12N2O4.C7H7Cl.C6H12O3.CH4.Na.H2.H/c1-38(2,3)47(7,8)45-30-36(46-48(9,10)39(4,5)6)29-44-37(43)27-26-35-28-42(31-41-35)40(32-20-14-11-15-21-32,33-22-16-12-17-23-33)34-24-18-13-19-25-34;28-24(29)17-16-23-18-27(19-26-23)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;1-21(2,3)26(7,8)24-18-20(25-27(9,10)22(4,5)6)17-23-16-19-14-12-11-13-15-19;2*1-14(2,3)19(7,8)17-12-13(11-16)18-20(9,10)15(4,5)6;1-13(2)15-10-12(16-13)9-14-8-11-6-4-3-5-7-11;11-6-10(12)8-13-7-9-4-2-1-3-5-9;12-4-8(13)5-15-9(14)2-1-7-3-10-6-11-7;8-6-7-4-2-1-3-5-7;1-6(2)8-4-5(3-7)9-6;;;;/h11-28,31,36H,29-30H2,1-10H3;1-19H,(H,28,29);11-15,20H,16-18H2,1-10H3;2*13,16H,11-12H2,1-10H3;3-7,12H,8-10H2,1-2H3;1-5,10-12H,6-8H2;1-3,6,8,12-13H,4-5H2,(H,10,11);1-5H,6H2;5,7H,3-4H2,1-2H3;1H4;;1H;/q;;;;;;;;;;;+1;;-1/b27-26+;17-16+;;;;;;2-1+;;;;;;.

What are the key properties of sodium;bis(2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol);2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl (E)-3-(1-tritylimidazol-4-yl)prop-2-enoate;tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane;chloromethylbenzene;2,3-dihydroxypropyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane;hydride;methane;molecular hydrogen;3-phenylmethoxypropane-1,2-diol;(E)-3-(1-tritylimidazol-4-yl)prop-2-enoic acid?

sodium;bis(2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol);2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl (E)-3-(1-tritylimidazol-4-yl)prop-2-enoate;tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane;chloromethylbenzene;2,3-dihydroxypropyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane;hydride;methane;molecular hydrogen;3-phenylmethoxypropane-1,2-diol;(E)-3-(1-tritylimidazol-4-yl)prop-2-enoic acid has a molecular weight of 3033.00 g/mol, XLogP of 32.69, 56 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;bis(2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol);2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl (E)-3-(1-tritylimidazol-4-yl)prop-2-enoate;tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane;chloromethylbenzene;2,3-dihydroxypropyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane;hydride;methane;molecular hydrogen;3-phenylmethoxypropane-1,2-diol;(E)-3-(1-tritylimidazol-4-yl)prop-2-enoic acid is sourced from PubChem (CID 160749733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).