3-[dibutoxy(butyl)silyl]propyl-trimethylazanium

C18H42NO2Si+ — CID 154408709

IUPAC3-[dibutoxy(butyl)silyl]propyl-trimethylazanium
SMILESCCCCO[Si](CCCC)(CCC[N+](C)(C)C)OCCCC
InChIInChI=1S/C18H42NO2Si/c1-7-10-15-20-22(17-12-9-3,21-16-11-8-2)18-13-14-19(4,5)6/h7-18H2,1-6H3/q+1
InChIKeyHQKYAQMYVVOMPU-UHFFFAOYSA-N
MW332.63 g/mol
LogP4.96
Rot. Bonds15

About 3-[dibutoxy(butyl)silyl]propyl-trimethylazanium

3-[dibutoxy(butyl)silyl]propyl-trimethylazanium (PubChem CID 154408709) has the molecular formula C18H42NO2Si+ and a molecular weight of 332.63 g/mol. Its IUPAC name is 3-[dibutoxy(butyl)silyl]propyl-trimethylazanium.

Molecular Properties

Compound Name3-[dibutoxy(butyl)silyl]propyl-trimethylazanium
PubChem CID154408709
Molecular FormulaC18H42NO2Si+
Molecular Weight332.63 g/mol
Exact Mass332.30
IUPAC Name3-[dibutoxy(butyl)silyl]propyl-trimethylazanium
SMILESCCCCO[Si](CCCC)(CCC[N+](C)(C)C)OCCCC
InChIInChI=1S/C18H42NO2Si/c1-7-10-15-20-22(17-12-9-3,21-16-11-8-2)18-13-14-19(4,5)6/h7-18H2,1-6H3/q+1
InChIKeyHQKYAQMYVVOMPU-UHFFFAOYSA-N
XLogP4.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butyl-dipentoxy-propylsilane
CID 140892782
butoxy-ethoxy-dioctylsilane
CID 89350080
dibutoxy-ethyl-propylsilane
CID 22556349
butoxy(tributyl)silane
CID 594608
decyl-dipropoxy-propylsilane
CID 22228664
butyl-diethoxy-tetradecylsilane
CID 139614088
butoxy-dibutyl-ethylsilane
CID 141095554
3-[methoxy(dipropyl)silyl]propyl-trimethylazanium
CID 154408712
trimethyl(pentatriacontyl)azanium
CID 118223294
butyl(trimethyl)azanium;methanol
CID 159541051
trimethyl(tetradecyl)azanium
CID 14251
trimethyl(pentyl)azanium iodide
CID 29431

Frequently Asked Questions

What is the IUPAC name of 3-[dibutoxy(butyl)silyl]propyl-trimethylazanium?
The IUPAC name of 3-[dibutoxy(butyl)silyl]propyl-trimethylazanium (CID 154408709) is 3-[dibutoxy(butyl)silyl]propyl-trimethylazanium.
What is the SMILES notation for 3-[dibutoxy(butyl)silyl]propyl-trimethylazanium?
The canonical SMILES for 3-[dibutoxy(butyl)silyl]propyl-trimethylazanium is CCCCO[Si](CCCC)(CCC[N+](C)(C)C)OCCCC.
What is the InChIKey of 3-[dibutoxy(butyl)silyl]propyl-trimethylazanium?
The InChIKey is HQKYAQMYVVOMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42NO2Si/c1-7-10-15-20-22(17-12-9-3,21-16-11-8-2)18-13-14-19(4,5)6/h7-18H2,1-6H3/q+1.
What are the key properties of 3-[dibutoxy(butyl)silyl]propyl-trimethylazanium?
3-[dibutoxy(butyl)silyl]propyl-trimethylazanium has a molecular weight of 332.63 g/mol, XLogP of 4.96, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dibutoxy(butyl)silyl]propyl-trimethylazanium is sourced from PubChem (CID 154408709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).