[(2S)-2-methyl-3-trimethylsilyloxypropyl]-triphenylphosphanium

C25H32OPSi+ — CID 14764474

IUPAC[(2S)-2-methyl-3-trimethylsilyloxypropyl]-triphenylphosphanium
SMILESC[C@@H](CO[Si](C)(C)C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H32OPSi/c1-22(20-26-28(2,3)4)21-27(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,22H,20-21H2,1-4H3/q+1/t22-/m0/s1
InChIKeyJYZRVPXASQQBRN-QFIPXVFZSA-N
MW407.59 g/mol
LogP5.47
Rot. Bonds8

About [(2S)-2-methyl-3-trimethylsilyloxypropyl]-triphenylphosphanium

[(2S)-2-methyl-3-trimethylsilyloxypropyl]-triphenylphosphanium (PubChem CID 14764474) has the molecular formula C25H32OPSi+ and a molecular weight of 407.59 g/mol. Its IUPAC name is [(2S)-2-methyl-3-trimethylsilyloxypropyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(2S)-2-methyl-3-trimethylsilyloxypropyl]-triphenylphosphanium
PubChem CID14764474
Molecular FormulaC25H32OPSi+
Molecular Weight407.59 g/mol
Exact Mass407.20
IUPAC Name[(2S)-2-methyl-3-trimethylsilyloxypropyl]-triphenylphosphanium
SMILESC[C@@H](CO[Si](C)(C)C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H32OPSi/c1-22(20-26-28(2,3)4)21-27(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,22H,20-21H2,1-4H3/q+1/t22-/m0/s1
InChIKeyJYZRVPXASQQBRN-QFIPXVFZSA-N
XLogP5.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.59
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triphenyl-[(2R)-2-phenyl-3-trimethylsilyloxypropyl]phosphanium
CID 18666473
[(2R)-2-cyclohexyl-3-trimethylsilyloxypropyl]-triphenylphosphanium
CID 18666467
[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-triphenylphosphanium
CID 11410748
[(2S)-2-methoxypropyl]-triphenylphosphanium
CID 98159687
[(2R)-2-hydroxypropyl]-triphenylphosphanium
CID 14895269
2-bromopropyl(triphenyl)phosphanium;hydrobromide
CID 174746929
triphenyl(propan-2-yloxymethyl)phosphanium chloride
CID 172782350
methoxymethyl(triphenyl)phosphanium;hydrate
CID 87989481
triphenyl(trimethylsilylmethyl)phosphanium chloride
CID 86227333
triphenyl(trimethylsilylmethyl)phosphanium iodide
CID 22461619
[(2S)-2-methylbut-3-enyl]-triphenylphosphanium
CID 10904649
triphenyl-[2-[phenyl(trimethylsilyloxy)methyl]butyl]phosphanium iodide
CID 18942081

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methyl-3-trimethylsilyloxypropyl]-triphenylphosphanium?
The IUPAC name of [(2S)-2-methyl-3-trimethylsilyloxypropyl]-triphenylphosphanium (CID 14764474) is [(2S)-2-methyl-3-trimethylsilyloxypropyl]-triphenylphosphanium.
What is the SMILES notation for [(2S)-2-methyl-3-trimethylsilyloxypropyl]-triphenylphosphanium?
The canonical SMILES for [(2S)-2-methyl-3-trimethylsilyloxypropyl]-triphenylphosphanium is C[C@@H](CO[Si](C)(C)C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S)-2-methyl-3-trimethylsilyloxypropyl]-triphenylphosphanium?
The InChIKey is JYZRVPXASQQBRN-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H32OPSi/c1-22(20-26-28(2,3)4)21-27(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,22H,20-21H2,1-4H3/q+1/t22-/m0/s1.
What are the key properties of [(2S)-2-methyl-3-trimethylsilyloxypropyl]-triphenylphosphanium?
[(2S)-2-methyl-3-trimethylsilyloxypropyl]-triphenylphosphanium has a molecular weight of 407.59 g/mol, XLogP of 5.47, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methyl-3-trimethylsilyloxypropyl]-triphenylphosphanium is sourced from PubChem (CID 14764474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).