triphenyl-[4-(3-trimethoxysilylpropoxy)phenyl]phosphanium

C30H34O4PSi+ — CID 90351881

IUPACtriphenyl-[4-(3-trimethoxysilylpropoxy)phenyl]phosphanium
SMILESCO[Si](CCCOc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)(OC)OC
InChIInChI=1S/C30H34O4PSi/c1-31-36(32-2,33-3)25-13-24-34-26-20-22-30(23-21-26)35(27-14-7-4-8-15-27,28-16-9-5-10-17-28)29-18-11-6-12-19-29/h4-12,14-23H,13,24-25H2,1-3H3/q+1
InChIKeyGQGKGEMXWRTIBC-UHFFFAOYSA-N
MW517.66 g/mol
LogP4.95
Rot. Bonds12

About triphenyl-[4-(3-trimethoxysilylpropoxy)phenyl]phosphanium

triphenyl-[4-(3-trimethoxysilylpropoxy)phenyl]phosphanium (PubChem CID 90351881) has the molecular formula C30H34O4PSi+ and a molecular weight of 517.66 g/mol. Its IUPAC name is triphenyl-[4-(3-trimethoxysilylpropoxy)phenyl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[4-(3-trimethoxysilylpropoxy)phenyl]phosphanium
PubChem CID90351881
Molecular FormulaC30H34O4PSi+
Molecular Weight517.66 g/mol
Exact Mass517.20
IUPAC Nametriphenyl-[4-(3-trimethoxysilylpropoxy)phenyl]phosphanium
SMILESCO[Si](CCCOc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)(OC)OC
InChIInChI=1S/C30H34O4PSi/c1-31-36(32-2,33-3)25-13-24-34-26-20-22-30(23-21-26)35(27-14-7-4-8-15-27,28-16-9-5-10-17-28)29-18-11-6-12-19-29/h4-12,14-23H,13,24-25H2,1-3H3/q+1
InChIKeyGQGKGEMXWRTIBC-UHFFFAOYSA-N
XLogP4.95
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.66
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

trimethoxy-[3-(4-nitrophenoxy)propyl]silane
CID 70700788
[4-(2-fluoroethoxy)phenyl]-methyl-diphenylphosphanium;hydroiodide
CID 159530112
dioxosilane;methyl 4-(3-trimethoxysilylpropoxy)benzoate
CID 157094807
[3,5-bis(trifluoromethyl)phenyl]-(4-octoxyphenyl)-diphenylphosphanium
CID 158233367
[3-(3-trimethoxysilylpropoxy)phenyl] benzoate
CID 20509689
acetyloxy-[4-(3-trimethoxysilylpropoxy)phenyl]mercury
CID 23265876
sodium triphenyl-[4-(3-triethoxysilylpropoxy)phenyl]boranuide
CID 139829561
triethoxy(5-phenoxypentyl)silane
CID 69261827
diphenyl-[(4-triethoxysilylphenyl)methyl]-[4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenyl]phosphanium
CID 102511384
trimethoxy-[3-[4-[3-[4-(3-trimethoxysilylpropoxy)phenyl]-1-adamantyl]phenoxy]propyl]silane
CID 101394241
3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 2183586
dimethyl-(3-phenoxypropyl)-trimethylsilyloxysilane
CID 19912171

Frequently Asked Questions

What is the IUPAC name of triphenyl-[4-(3-trimethoxysilylpropoxy)phenyl]phosphanium?
The IUPAC name of triphenyl-[4-(3-trimethoxysilylpropoxy)phenyl]phosphanium (CID 90351881) is triphenyl-[4-(3-trimethoxysilylpropoxy)phenyl]phosphanium.
What is the SMILES notation for triphenyl-[4-(3-trimethoxysilylpropoxy)phenyl]phosphanium?
The canonical SMILES for triphenyl-[4-(3-trimethoxysilylpropoxy)phenyl]phosphanium is CO[Si](CCCOc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)(OC)OC.
What is the InChIKey of triphenyl-[4-(3-trimethoxysilylpropoxy)phenyl]phosphanium?
The InChIKey is GQGKGEMXWRTIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O4PSi/c1-31-36(32-2,33-3)25-13-24-34-26-20-22-30(23-21-26)35(27-14-7-4-8-15-27,28-16-9-5-10-17-28)29-18-11-6-12-19-29/h4-12,14-23H,13,24-25H2,1-3H3/q+1.
What are the key properties of triphenyl-[4-(3-trimethoxysilylpropoxy)phenyl]phosphanium?
triphenyl-[4-(3-trimethoxysilylpropoxy)phenyl]phosphanium has a molecular weight of 517.66 g/mol, XLogP of 4.95, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[4-(3-trimethoxysilylpropoxy)phenyl]phosphanium is sourced from PubChem (CID 90351881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).