didodecyl-methyl-(1-triphenylsilyloxyethyl)azanium iodide

C45H72INOSi — CID 19839250

IUPACdidodecyl-methyl-(1-triphenylsilyloxyethyl)azanium iodide
SMILESCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)C(C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C45H72NOSi.HI/c1-5-7-9-11-13-15-17-19-21-32-40-46(4,41-33-22-20-18-16-14-12-10-8-6-2)42(3)47-48(43-34-26-23-27-35-43,44-36-28-24-29-37-44)45-38-30-25-31-39-45;/h23-31,34-39,42H,5-22,32-33,40-41H2,1-4H3;1H/q+1;/p-1
InChIKeySCVZCLYTONFJGR-UHFFFAOYSA-M
MW798.07 g/mol
LogP8.31
Rot. Bonds28

About didodecyl-methyl-(1-triphenylsilyloxyethyl)azanium iodide

didodecyl-methyl-(1-triphenylsilyloxyethyl)azanium iodide (PubChem CID 19839250) has the molecular formula C45H72INOSi and a molecular weight of 798.07 g/mol. Its IUPAC name is didodecyl-methyl-(1-triphenylsilyloxyethyl)azanium iodide.

Molecular Properties

Compound Namedidodecyl-methyl-(1-triphenylsilyloxyethyl)azanium iodide
PubChem CID19839250
Molecular FormulaC45H72INOSi
Molecular Weight798.07 g/mol
Exact Mass797.44
IUPAC Namedidodecyl-methyl-(1-triphenylsilyloxyethyl)azanium iodide
SMILESCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)C(C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C45H72NOSi.HI/c1-5-7-9-11-13-15-17-19-21-32-40-46(4,41-33-22-20-18-16-14-12-10-8-6-2)42(3)47-48(43-34-26-23-27-35-43,44-36-28-24-29-37-44)45-38-30-25-31-39-45;/h23-31,34-39,42H,5-22,32-33,40-41H2,1-4H3;1H/q+1;/p-1
InChIKeySCVZCLYTONFJGR-UHFFFAOYSA-M
XLogP8.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds28
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.07
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of didodecyl-methyl-(1-triphenylsilyloxyethyl)azanium iodide?
The IUPAC name of didodecyl-methyl-(1-triphenylsilyloxyethyl)azanium iodide (CID 19839250) is didodecyl-methyl-(1-triphenylsilyloxyethyl)azanium iodide.
What is the SMILES notation for didodecyl-methyl-(1-triphenylsilyloxyethyl)azanium iodide?
The canonical SMILES for didodecyl-methyl-(1-triphenylsilyloxyethyl)azanium iodide is CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)C(C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.[I-].
What is the InChIKey of didodecyl-methyl-(1-triphenylsilyloxyethyl)azanium iodide?
The InChIKey is SCVZCLYTONFJGR-UHFFFAOYSA-M. The full InChI is InChI=1S/C45H72NOSi.HI/c1-5-7-9-11-13-15-17-19-21-32-40-46(4,41-33-22-20-18-16-14-12-10-8-6-2)42(3)47-48(43-34-26-23-27-35-43,44-36-28-24-29-37-44)45-38-30-25-31-39-45;/h23-31,34-39,42H,5-22,32-33,40-41H2,1-4H3;1H/q+1;/p-1.
What are the key properties of didodecyl-methyl-(1-triphenylsilyloxyethyl)azanium iodide?
didodecyl-methyl-(1-triphenylsilyloxyethyl)azanium iodide has a molecular weight of 798.07 g/mol, XLogP of 8.31, 28 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for didodecyl-methyl-(1-triphenylsilyloxyethyl)azanium iodide is sourced from PubChem (CID 19839250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).