[4-[dimethyl-[(trimethylazaniumyl)methyl]silyl]butyl-dimethylsilyl]methyl-trimethylazanium diiodide

C16H42I2N2Si2 — CID 12683542

IUPAC[4-[dimethyl-[(trimethylazaniumyl)methyl]silyl]butyl-dimethylsilyl]methyl-trimethylazanium diiodide
SMILESC[N+](C)(C)C[Si](C)(C)CCCC[Si](C)(C)C[N+](C)(C)C.[I-].[I-]
InChIInChI=1S/C16H42N2Si2.2HI/c1-17(2,3)15-19(7,8)13-11-12-14-20(9,10)16-18(4,5)6;;/h11-16H2,1-10H3;2*1H/q+2;;/p-2
InChIKeyUKBOJUZMOPJSQV-UHFFFAOYSA-L
MW572.51 g/mol
LogP-2.32
Rot. Bonds9

About [4-[dimethyl-[(trimethylazaniumyl)methyl]silyl]butyl-dimethylsilyl]methyl-trimethylazanium diiodide

[4-[dimethyl-[(trimethylazaniumyl)methyl]silyl]butyl-dimethylsilyl]methyl-trimethylazanium diiodide (PubChem CID 12683542) has the molecular formula C16H42I2N2Si2 and a molecular weight of 572.51 g/mol. Its IUPAC name is [4-[dimethyl-[(trimethylazaniumyl)methyl]silyl]butyl-dimethylsilyl]methyl-trimethylazanium diiodide.

Molecular Properties

Compound Name[4-[dimethyl-[(trimethylazaniumyl)methyl]silyl]butyl-dimethylsilyl]methyl-trimethylazanium diiodide
PubChem CID12683542
Molecular FormulaC16H42I2N2Si2
Molecular Weight572.51 g/mol
Exact Mass572.10
IUPAC Name[4-[dimethyl-[(trimethylazaniumyl)methyl]silyl]butyl-dimethylsilyl]methyl-trimethylazanium diiodide
SMILESC[N+](C)(C)C[Si](C)(C)CCCC[Si](C)(C)C[N+](C)(C)C.[I-].[I-]
InChIInChI=1S/C16H42N2Si2.2HI/c1-17(2,3)15-19(7,8)13-11-12-14-20(9,10)16-18(4,5)6;;/h11-16H2,1-10H3;2*1H/q+2;;/p-2
InChIKeyUKBOJUZMOPJSQV-UHFFFAOYSA-L
XLogP-2.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.51
LogP ≤ 5-2.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

trimethyl(trimethylsilylmethyl)azanium
CID 5254842
[dimethyl(octadecyl)silyl]methanamine
CID 87605582
butyl-dimethyl-undecylsilane
CID 54018421
3-[hexyl(dimethyl)silyl]propan-1-amine
CID 139880015
ethyl-heptyl-dimethylsilane
CID 90701403
3-[[3-[diethyl(methyl)azaniumyl]propyl-dimethylsilyl]methyl-dimethylsilyl]propyl-diethyl-methylazanium diiodide
CID 12683536
4-[aminomethyl(dimethyl)silyl]butan-1-ol
CID 101209904
7-[dimethyl(octadecyl)silyl]heptanamide
CID 175975637
trimethyl(3-trimethylsilylpropyl)azanium chloride
CID 87931852
3-[dimethyl-[2-[tris[2-[3-aminopropyl(dimethyl)silyl]ethyl]silyl]ethyl]silyl]propan-1-amine
CID 102284214
dimethyl-pentyl-[(Z)-3-trimethylsilylprop-2-enyl]silane
CID 5366402
2-amino-2-[3-[dimethyl(octyl)silyl]propyl]propane-1,3-diol
CID 86200813

Frequently Asked Questions

What is the IUPAC name of [4-[dimethyl-[(trimethylazaniumyl)methyl]silyl]butyl-dimethylsilyl]methyl-trimethylazanium diiodide?
The IUPAC name of [4-[dimethyl-[(trimethylazaniumyl)methyl]silyl]butyl-dimethylsilyl]methyl-trimethylazanium diiodide (CID 12683542) is [4-[dimethyl-[(trimethylazaniumyl)methyl]silyl]butyl-dimethylsilyl]methyl-trimethylazanium diiodide.
What is the SMILES notation for [4-[dimethyl-[(trimethylazaniumyl)methyl]silyl]butyl-dimethylsilyl]methyl-trimethylazanium diiodide?
The canonical SMILES for [4-[dimethyl-[(trimethylazaniumyl)methyl]silyl]butyl-dimethylsilyl]methyl-trimethylazanium diiodide is C[N+](C)(C)C[Si](C)(C)CCCC[Si](C)(C)C[N+](C)(C)C.[I-].[I-].
What is the InChIKey of [4-[dimethyl-[(trimethylazaniumyl)methyl]silyl]butyl-dimethylsilyl]methyl-trimethylazanium diiodide?
The InChIKey is UKBOJUZMOPJSQV-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H42N2Si2.2HI/c1-17(2,3)15-19(7,8)13-11-12-14-20(9,10)16-18(4,5)6;;/h11-16H2,1-10H3;2*1H/q+2;;/p-2.
What are the key properties of [4-[dimethyl-[(trimethylazaniumyl)methyl]silyl]butyl-dimethylsilyl]methyl-trimethylazanium diiodide?
[4-[dimethyl-[(trimethylazaniumyl)methyl]silyl]butyl-dimethylsilyl]methyl-trimethylazanium diiodide has a molecular weight of 572.51 g/mol, XLogP of -2.32, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[dimethyl-[(trimethylazaniumyl)methyl]silyl]butyl-dimethylsilyl]methyl-trimethylazanium diiodide is sourced from PubChem (CID 12683542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).