tributyl(2-trimethoxysilylethyl)phosphanium

C17H40O3PSi+ — CID 174979250

IUPACtributyl(2-trimethoxysilylethyl)phosphanium
SMILESCCCC[P+](CCCC)(CCCC)CC[Si](OC)(OC)OC
InChIInChI=1S/C17H40O3PSi/c1-7-10-13-21(14-11-8-2,15-12-9-3)16-17-22(18-4,19-5)20-6/h7-17H2,1-6H3/q+1
InChIKeyXMDKNEFKBXFFSI-UHFFFAOYSA-N
MW351.56 g/mol
LogP5.28
Rot. Bonds15

About tributyl(2-trimethoxysilylethyl)phosphanium

tributyl(2-trimethoxysilylethyl)phosphanium (PubChem CID 174979250) has the molecular formula C17H40O3PSi+ and a molecular weight of 351.56 g/mol. Its IUPAC name is tributyl(2-trimethoxysilylethyl)phosphanium.

Molecular Properties

Compound Nametributyl(2-trimethoxysilylethyl)phosphanium
PubChem CID174979250
Molecular FormulaC17H40O3PSi+
Molecular Weight351.56 g/mol
Exact Mass351.25
IUPAC Nametributyl(2-trimethoxysilylethyl)phosphanium
SMILESCCCC[P+](CCCC)(CCCC)CC[Si](OC)(OC)OC
InChIInChI=1S/C17H40O3PSi/c1-7-10-13-21(14-11-8-2,15-12-9-3)16-17-22(18-4,19-5)20-6/h7-17H2,1-6H3/q+1
InChIKeyXMDKNEFKBXFFSI-UHFFFAOYSA-N
XLogP5.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.56
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hexane;3-trimethoxysilylpropane-1,1-diamine
CID 174757276
tetrabutylphosphanium;tin(4+)
CID 160650774
hexane-1,1-diamine;trimethoxy(propyl)silane
CID 175401211
tributyl(2-methoxyethyl)phosphanium
CID 25047739
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708
stibane;tetrabutylphosphanium;hexahydrofluoride
CID 172998203
tetrabutylphosphanium;fluoride;dihydrofluoride
CID 11823303
trimethoxy(pentacontyl)silane
CID 87930715
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
azane;trimethoxy(pentyl)silane
CID 19608931
hexacosyl(trimethoxy)silane
CID 150262252
dodecyl(trimethoxy)silane;octane
CID 174570785

Frequently Asked Questions

What is the IUPAC name of tributyl(2-trimethoxysilylethyl)phosphanium?
The IUPAC name of tributyl(2-trimethoxysilylethyl)phosphanium (CID 174979250) is tributyl(2-trimethoxysilylethyl)phosphanium.
What is the SMILES notation for tributyl(2-trimethoxysilylethyl)phosphanium?
The canonical SMILES for tributyl(2-trimethoxysilylethyl)phosphanium is CCCC[P+](CCCC)(CCCC)CC[Si](OC)(OC)OC.
What is the InChIKey of tributyl(2-trimethoxysilylethyl)phosphanium?
The InChIKey is XMDKNEFKBXFFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H40O3PSi/c1-7-10-13-21(14-11-8-2,15-12-9-3)16-17-22(18-4,19-5)20-6/h7-17H2,1-6H3/q+1.
What are the key properties of tributyl(2-trimethoxysilylethyl)phosphanium?
tributyl(2-trimethoxysilylethyl)phosphanium has a molecular weight of 351.56 g/mol, XLogP of 5.28, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(2-trimethoxysilylethyl)phosphanium is sourced from PubChem (CID 174979250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).