[3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]methyl-triphenylphosphanium

C27H34OPSi+ — CID 101347825

IUPAC[3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]methyl-triphenylphosphanium
SMILESCC(C)(C)[Si](C)(C)C1OC1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H34OPSi/c1-27(2,3)30(4,5)26-25(28-26)21-29(22-15-9-6-10-16-22,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-20,25-26H,21H2,1-5H3/q+1
InChIKeyOMVSATOFXHEKKE-UHFFFAOYSA-N
MW433.63 g/mol
LogP5.80
Rot. Bonds6

About [3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]methyl-triphenylphosphanium

[3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]methyl-triphenylphosphanium (PubChem CID 101347825) has the molecular formula C27H34OPSi+ and a molecular weight of 433.63 g/mol. Its IUPAC name is [3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]methyl-triphenylphosphanium.

Molecular Properties

Compound Name[3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]methyl-triphenylphosphanium
PubChem CID101347825
Molecular FormulaC27H34OPSi+
Molecular Weight433.63 g/mol
Exact Mass433.21
IUPAC Name[3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]methyl-triphenylphosphanium
SMILESCC(C)(C)[Si](C)(C)C1OC1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H34OPSi/c1-27(2,3)30(4,5)26-25(28-26)21-29(22-15-9-6-10-16-22,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-20,25-26H,21H2,1-5H3/q+1
InChIKeyOMVSATOFXHEKKE-UHFFFAOYSA-N
XLogP5.80
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.63
LogP ≤ 55.80
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]methyl-triphenylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-methyl-3-triphenylphosphaniumyl-2-(triphenylphosphaniumylmethyl)propyl]-triphenylphosphanium
CID 101168782
[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-triphenylphosphanium
CID 11410748
triphenyl(trimethylsilylmethyl)phosphanium iodide
CID 22461619
triphenyl(trimethylsilylmethyl)phosphanium chloride
CID 86227333
cyclopropylmethyl(triphenyl)phosphanium;hydrobromide
CID 123134069
[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butyl]-triphenylphosphanium
CID 71726280
[(2S,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl-triphenylphosphanium iodide
CID 11170375
(1,3-dimethyl-2H-benzimidazol-2-yl)methyl-triphenylphosphanium
CID 132604281
chloromethyl(triphenyl)phosphanium;methanolate
CID 18356085
3,3-dimethylbutyl(triphenyl)phosphanium bromide
CID 71363385
[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]methyl-triphenylphosphanium iodide
CID 11320340
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-triphenylphosphanium bromide
CID 10393091

Frequently Asked Questions

What is the IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]methyl-triphenylphosphanium?
The IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]methyl-triphenylphosphanium (CID 101347825) is [3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]methyl-triphenylphosphanium.
What is the SMILES notation for [3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]methyl-triphenylphosphanium?
The canonical SMILES for [3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]methyl-triphenylphosphanium is CC(C)(C)[Si](C)(C)C1OC1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]methyl-triphenylphosphanium?
The InChIKey is OMVSATOFXHEKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34OPSi/c1-27(2,3)30(4,5)26-25(28-26)21-29(22-15-9-6-10-16-22,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-20,25-26H,21H2,1-5H3/q+1.
What are the key properties of [3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]methyl-triphenylphosphanium?
[3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]methyl-triphenylphosphanium has a molecular weight of 433.63 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]methyl-triphenylphosphanium is sourced from PubChem (CID 101347825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).