triphenyl-[2-[phenyl(trimethylsilyloxy)methyl]butyl]phosphanium iodide

C32H38IOPSi — CID 18942081

IUPACtriphenyl-[2-[phenyl(trimethylsilyloxy)methyl]butyl]phosphanium iodide
SMILESCCC(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(O[Si](C)(C)C)c1ccccc1.[I-]
InChIInChI=1S/C32H38OPSi.HI/c1-5-27(32(33-35(2,3)4)28-18-10-6-11-19-28)26-34(29-20-12-7-13-21-29,30-22-14-8-15-23-30)31-24-16-9-17-25-31;/h6-25,27,32H,5,26H2,1-4H3;1H/q+1;/p-1
InChIKeyIDEYNBDGPVGTBJ-UHFFFAOYSA-M
MW624.62 g/mol
LogP4.60
Rot. Bonds10

About triphenyl-[2-[phenyl(trimethylsilyloxy)methyl]butyl]phosphanium iodide

triphenyl-[2-[phenyl(trimethylsilyloxy)methyl]butyl]phosphanium iodide (PubChem CID 18942081) has the molecular formula C32H38IOPSi and a molecular weight of 624.62 g/mol. Its IUPAC name is triphenyl-[2-[phenyl(trimethylsilyloxy)methyl]butyl]phosphanium iodide.

Molecular Properties

Compound Nametriphenyl-[2-[phenyl(trimethylsilyloxy)methyl]butyl]phosphanium iodide
PubChem CID18942081
Molecular FormulaC32H38IOPSi
Molecular Weight624.62 g/mol
Exact Mass624.15
IUPAC Nametriphenyl-[2-[phenyl(trimethylsilyloxy)methyl]butyl]phosphanium iodide
SMILESCCC(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(O[Si](C)(C)C)c1ccccc1.[I-]
InChIInChI=1S/C32H38OPSi.HI/c1-5-27(32(33-35(2,3)4)28-18-10-6-11-19-28)26-34(29-20-12-7-13-21-29,30-22-14-8-15-23-30)31-24-16-9-17-25-31;/h6-25,27,32H,5,26H2,1-4H3;1H/q+1;/p-1
InChIKeyIDEYNBDGPVGTBJ-UHFFFAOYSA-M
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500624.62
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triphenyl-[(3S)-3-phenyl-3-trimethylsilyloxypropyl]phosphanium
CID 18651664
triphenyl-[(2R)-2-phenyl-3-trimethylsilyloxypropyl]phosphanium
CID 18666473
[(2S)-2-methyl-3-trimethylsilyloxypropyl]-triphenylphosphanium
CID 14764474
ethyl(triphenyl)phosphanium;phosphane;iodide;hydroiodide
CID 174900337
azane;ethyl(triphenyl)phosphanium;iodide;hydroiodide
CID 174751810
2-phenyl-N-[(1S,2R)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide
CID 91753974
methyl-[(1S,2S)-2-[methyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 102172480
ethyl(triphenyl)phosphanium;hexahydrofluoride
CID 174986237
triphenyl(triethoxysilylmethyl)phosphanium iodide
CID 71410577
(1S,2S)-N-methyl-1-phenyl-N-trimethylsilyl-1-trimethylsilyloxypropan-2-amine
CID 102239963
N-methyl-2-phenyl-N-[(1R,2R)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide
CID 91753971
triphenyl(trimethylsilylmethyl)phosphanium iodide
CID 22461619

Frequently Asked Questions

What is the IUPAC name of triphenyl-[2-[phenyl(trimethylsilyloxy)methyl]butyl]phosphanium iodide?
The IUPAC name of triphenyl-[2-[phenyl(trimethylsilyloxy)methyl]butyl]phosphanium iodide (CID 18942081) is triphenyl-[2-[phenyl(trimethylsilyloxy)methyl]butyl]phosphanium iodide.
What is the SMILES notation for triphenyl-[2-[phenyl(trimethylsilyloxy)methyl]butyl]phosphanium iodide?
The canonical SMILES for triphenyl-[2-[phenyl(trimethylsilyloxy)methyl]butyl]phosphanium iodide is CCC(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(O[Si](C)(C)C)c1ccccc1.[I-].
What is the InChIKey of triphenyl-[2-[phenyl(trimethylsilyloxy)methyl]butyl]phosphanium iodide?
The InChIKey is IDEYNBDGPVGTBJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H38OPSi.HI/c1-5-27(32(33-35(2,3)4)28-18-10-6-11-19-28)26-34(29-20-12-7-13-21-29,30-22-14-8-15-23-30)31-24-16-9-17-25-31;/h6-25,27,32H,5,26H2,1-4H3;1H/q+1;/p-1.
What are the key properties of triphenyl-[2-[phenyl(trimethylsilyloxy)methyl]butyl]phosphanium iodide?
triphenyl-[2-[phenyl(trimethylsilyloxy)methyl]butyl]phosphanium iodide has a molecular weight of 624.62 g/mol, XLogP of 4.60, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[2-[phenyl(trimethylsilyloxy)methyl]butyl]phosphanium iodide is sourced from PubChem (CID 18942081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).