4-[[4-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]butyl-dimethylsilyl]oxy-dimethylsilyl]butyl-methanidyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium

C28H57N2O5Si2+ — CID 58308899

IUPAC4-[[4-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]butyl-dimethylsilyl]oxy-dimethylsilyl]butyl-methanidyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OCC[N+]([CH2-])(C)CCCC[Si](C)(C)O[Si](C)(C)CCCC[N+](C)(C)CCOC(=O)C(=C)C
InChIInChI=1S/C28H57N2O5Si2/c1-25(2)27(31)33-21-19-29(5,6)17-13-15-23-36(9,10)35-37(11,12)24-16-14-18-30(7,8)20-22-34-28(32)26(3)4/h1,3,5,13-24H2,2,4,6-12H3/q+1
InChIKeyIERSHLOKOBRZIK-UHFFFAOYSA-N
MW557.95 g/mol
LogP5.53
Rot. Bonds20

About 4-[[4-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]butyl-dimethylsilyl]oxy-dimethylsilyl]butyl-methanidyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium

4-[[4-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]butyl-dimethylsilyl]oxy-dimethylsilyl]butyl-methanidyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium (PubChem CID 58308899) has the molecular formula C28H57N2O5Si2+ and a molecular weight of 557.95 g/mol. Its IUPAC name is 4-[[4-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]butyl-dimethylsilyl]oxy-dimethylsilyl]butyl-methanidyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium.

Molecular Properties

Compound Name4-[[4-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]butyl-dimethylsilyl]oxy-dimethylsilyl]butyl-methanidyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
PubChem CID58308899
Molecular FormulaC28H57N2O5Si2+
Molecular Weight557.95 g/mol
Exact Mass557.38
IUPAC Name4-[[4-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]butyl-dimethylsilyl]oxy-dimethylsilyl]butyl-methanidyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OCC[N+]([CH2-])(C)CCCC[Si](C)(C)O[Si](C)(C)CCCC[N+](C)(C)CCOC(=O)C(=C)C
InChIInChI=1S/C28H57N2O5Si2/c1-25(2)27(31)33-21-19-29(5,6)17-13-15-23-36(9,10)35-37(11,12)24-16-14-18-30(7,8)20-22-34-28(32)26(3)4/h1,3,5,13-24H2,2,4,6-12H3/q+1
InChIKeyIERSHLOKOBRZIK-UHFFFAOYSA-N
XLogP5.53
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.95
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

butyl-[2-[3-[[3-[[2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethylazanium
CID 88934860
[2-[3-[[dimethyl-[3-(propanoylamino)propyl]silyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 89221817
dodecyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 15616472
3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 22094222
3-[[3-methoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 59651344
3-[[dimethyl(2-trimethylsilylethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;tetramethylsilane
CID 157121683
4-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propane-1-sulfonate
CID 160964800
butyl-dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium
CID 139894446
4-[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]butyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;hydrobromide
CID 157309870
2-carboxyethyl-dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium
CID 172766453
11-[methoxy(dimethyl)silyl]undecyl 2-methylprop-2-enoate
CID 142567351
dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]-propylazanium bromide
CID 88686669

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]butyl-dimethylsilyl]oxy-dimethylsilyl]butyl-methanidyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The IUPAC name of 4-[[4-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]butyl-dimethylsilyl]oxy-dimethylsilyl]butyl-methanidyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium (CID 58308899) is 4-[[4-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]butyl-dimethylsilyl]oxy-dimethylsilyl]butyl-methanidyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium.
What is the SMILES notation for 4-[[4-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]butyl-dimethylsilyl]oxy-dimethylsilyl]butyl-methanidyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The canonical SMILES for 4-[[4-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]butyl-dimethylsilyl]oxy-dimethylsilyl]butyl-methanidyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium is C=C(C)C(=O)OCC[N+]([CH2-])(C)CCCC[Si](C)(C)O[Si](C)(C)CCCC[N+](C)(C)CCOC(=O)C(=C)C.
What is the InChIKey of 4-[[4-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]butyl-dimethylsilyl]oxy-dimethylsilyl]butyl-methanidyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The InChIKey is IERSHLOKOBRZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57N2O5Si2/c1-25(2)27(31)33-21-19-29(5,6)17-13-15-23-36(9,10)35-37(11,12)24-16-14-18-30(7,8)20-22-34-28(32)26(3)4/h1,3,5,13-24H2,2,4,6-12H3/q+1.
What are the key properties of 4-[[4-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]butyl-dimethylsilyl]oxy-dimethylsilyl]butyl-methanidyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
4-[[4-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]butyl-dimethylsilyl]oxy-dimethylsilyl]butyl-methanidyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium has a molecular weight of 557.95 g/mol, XLogP of 5.53, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]butyl-dimethylsilyl]oxy-dimethylsilyl]butyl-methanidyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium is sourced from PubChem (CID 58308899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).