tributyl(1-triethoxysilylpropyl)phosphanium

C21H48O3PSi+ — CID 22910406

IUPACtributyl(1-triethoxysilylpropyl)phosphanium
SMILESCCCC[P+](CCCC)(CCCC)C(CC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C21H48O3PSi/c1-8-15-18-25(19-16-9-2,20-17-10-3)21(11-4)26(22-12-5,23-13-6)24-14-7/h21H,8-20H2,1-7H3/q+1
InChIKeyZZEPQCNWGIBLEK-UHFFFAOYSA-N
MW407.67 g/mol
LogP6.77
Rot. Bonds18

About tributyl(1-triethoxysilylpropyl)phosphanium

tributyl(1-triethoxysilylpropyl)phosphanium (PubChem CID 22910406) has the molecular formula C21H48O3PSi+ and a molecular weight of 407.67 g/mol. Its IUPAC name is tributyl(1-triethoxysilylpropyl)phosphanium.

Molecular Properties

Compound Nametributyl(1-triethoxysilylpropyl)phosphanium
PubChem CID22910406
Molecular FormulaC21H48O3PSi+
Molecular Weight407.67 g/mol
Exact Mass407.31
IUPAC Nametributyl(1-triethoxysilylpropyl)phosphanium
SMILESCCCC[P+](CCCC)(CCCC)C(CC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C21H48O3PSi/c1-8-15-18-25(19-16-9-2,20-17-10-3)21(11-4)26(22-12-5,23-13-6)24-14-7/h21H,8-20H2,1-7H3/q+1
InChIKeyZZEPQCNWGIBLEK-UHFFFAOYSA-N
XLogP6.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.67
LogP ≤ 56.77
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

1-bromohexan-2-yl(triethoxy)silane
CID 142614028
2-triethoxysilylhexan-1-amine
CID 87125413
N,N-dimethyl-1-triethoxysilylhexan-1-amine
CID 89262216
1-triethoxysilyldecan-1-amine
CID 87463354
ethyl tris(2-ethylhexyl) silicate
CID 20542505
2-triethoxysilyldodecanal
CID 162716787
trihexyl(1-triethoxysilylpropyl)azanium
CID 57211677
N,N-bis(1-triethoxysilylpropyl)octadecan-1-amine;hydrochloride
CID 173045206
tributyl(ethyl)phosphanium;yttrium
CID 157495061
triethoxy-[1-(1-triethoxysilyldodecylheptasulfanyl)dodecyl]silane
CID 54431230
octadecyl(1-triethoxysilylpropyl)azanium chloride
CID 141004157
N-[1-[diethoxy(methyl)silyl]propyl]-1-triethoxysilyloctan-1-amine
CID 175408992

Frequently Asked Questions

What is the IUPAC name of tributyl(1-triethoxysilylpropyl)phosphanium?
The IUPAC name of tributyl(1-triethoxysilylpropyl)phosphanium (CID 22910406) is tributyl(1-triethoxysilylpropyl)phosphanium.
What is the SMILES notation for tributyl(1-triethoxysilylpropyl)phosphanium?
The canonical SMILES for tributyl(1-triethoxysilylpropyl)phosphanium is CCCC[P+](CCCC)(CCCC)C(CC)[Si](OCC)(OCC)OCC.
What is the InChIKey of tributyl(1-triethoxysilylpropyl)phosphanium?
The InChIKey is ZZEPQCNWGIBLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H48O3PSi/c1-8-15-18-25(19-16-9-2,20-17-10-3)21(11-4)26(22-12-5,23-13-6)24-14-7/h21H,8-20H2,1-7H3/q+1.
What are the key properties of tributyl(1-triethoxysilylpropyl)phosphanium?
tributyl(1-triethoxysilylpropyl)phosphanium has a molecular weight of 407.67 g/mol, XLogP of 6.77, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(1-triethoxysilylpropyl)phosphanium is sourced from PubChem (CID 22910406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).