3-[ethyl(dimethoxy)silyl]propyl-dimethyl-octylphosphanium

C17H40O2PSi+ — CID 71385117

IUPAC3-[ethyl(dimethoxy)silyl]propyl-dimethyl-octylphosphanium
SMILESCCCCCCCC[P+](C)(C)CCC[Si](CC)(OC)OC
InChIInChI=1S/C17H40O2PSi/c1-7-9-10-11-12-13-15-20(5,6)16-14-17-21(8-2,18-3)19-4/h7-17H2,1-6H3/q+1
InChIKeyVGSWYLWQTVAHET-UHFFFAOYSA-N
MW335.57 g/mol
LogP5.77
Rot. Bonds14

About 3-[ethyl(dimethoxy)silyl]propyl-dimethyl-octylphosphanium

3-[ethyl(dimethoxy)silyl]propyl-dimethyl-octylphosphanium (PubChem CID 71385117) has the molecular formula C17H40O2PSi+ and a molecular weight of 335.57 g/mol. Its IUPAC name is 3-[ethyl(dimethoxy)silyl]propyl-dimethyl-octylphosphanium.

Molecular Properties

Compound Name3-[ethyl(dimethoxy)silyl]propyl-dimethyl-octylphosphanium
PubChem CID71385117
Molecular FormulaC17H40O2PSi+
Molecular Weight335.57 g/mol
Exact Mass335.25
IUPAC Name3-[ethyl(dimethoxy)silyl]propyl-dimethyl-octylphosphanium
SMILESCCCCCCCC[P+](C)(C)CCC[Si](CC)(OC)OC
InChIInChI=1S/C17H40O2PSi/c1-7-9-10-11-12-13-15-20(5,6)16-14-17-21(8-2,18-3)19-4/h7-17H2,1-6H3/q+1
InChIKeyVGSWYLWQTVAHET-UHFFFAOYSA-N
XLogP5.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.57
LogP ≤ 55.77
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': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(dimethoxy)silyl]propyl-dimethyl-octylphosphanium?
The IUPAC name of 3-[ethyl(dimethoxy)silyl]propyl-dimethyl-octylphosphanium (CID 71385117) is 3-[ethyl(dimethoxy)silyl]propyl-dimethyl-octylphosphanium.
What is the SMILES notation for 3-[ethyl(dimethoxy)silyl]propyl-dimethyl-octylphosphanium?
The canonical SMILES for 3-[ethyl(dimethoxy)silyl]propyl-dimethyl-octylphosphanium is CCCCCCCC[P+](C)(C)CCC[Si](CC)(OC)OC.
What is the InChIKey of 3-[ethyl(dimethoxy)silyl]propyl-dimethyl-octylphosphanium?
The InChIKey is VGSWYLWQTVAHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H40O2PSi/c1-7-9-10-11-12-13-15-20(5,6)16-14-17-21(8-2,18-3)19-4/h7-17H2,1-6H3/q+1.
What are the key properties of 3-[ethyl(dimethoxy)silyl]propyl-dimethyl-octylphosphanium?
3-[ethyl(dimethoxy)silyl]propyl-dimethyl-octylphosphanium has a molecular weight of 335.57 g/mol, XLogP of 5.77, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(dimethoxy)silyl]propyl-dimethyl-octylphosphanium is sourced from PubChem (CID 71385117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).