[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-triphenylphosphanium bromide

C31H36BrOPSi — CID 10393091

IUPAC[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-triphenylphosphanium bromide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Br-]
InChIInChI=1S/C31H36OPSi.BrH/c1-31(2,3)34(4,5)32-27-23-21-26(22-24-27)25-33(28-15-9-6-10-16-28,29-17-11-7-12-18-29)30-19-13-8-14-20-30;/h6-24H,25H2,1-5H3;1H/q+1;/p-1
InChIKeyKNFXYVHYTHGIOI-UHFFFAOYSA-M
MW563.59 g/mol
LogP4.57
Rot. Bonds7

About [4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-triphenylphosphanium bromide

[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-triphenylphosphanium bromide (PubChem CID 10393091) has the molecular formula C31H36BrOPSi and a molecular weight of 563.59 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-triphenylphosphanium bromide.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-triphenylphosphanium bromide
PubChem CID10393091
Molecular FormulaC31H36BrOPSi
Molecular Weight563.59 g/mol
Exact Mass562.15
IUPAC Name[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-triphenylphosphanium bromide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Br-]
InChIInChI=1S/C31H36OPSi.BrH/c1-31(2,3)34(4,5)32-27-23-21-26(22-24-27)25-33(28-15-9-6-10-16-28,29-17-11-7-12-18-29)30-19-13-8-14-20-30;/h6-24H,25H2,1-5H3;1H/q+1;/p-1
InChIKeyKNFXYVHYTHGIOI-UHFFFAOYSA-M
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.59
LogP ≤ 54.57
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

[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl-triphenylphosphanium chloride
CID 10919369
(4-ethoxyphenyl)methyl-triphenylphosphanium bromide
CID 2724470
tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane
CID 532661
(4-ethoxyphenyl)methyl-triphenylphosphanium;dihydrochloride
CID 174834857
magnesium;tert-butyl-[4-(chloromethyl)phenoxy]-dimethylsilane;hydride
CID 173072447
tert-butyl-[4-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane
CID 23553287
4-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine
CID 19763310
(4-acetyloxyphenyl)methyl-triphenylphosphanium
CID 71340260
[4-(4-phenoxybutoxy)phenyl]methyl-triphenylphosphanium chloride
CID 23124752
tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane
CID 102246866
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
tert-butyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate
CID 102018179

Frequently Asked Questions

What is the IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-triphenylphosphanium bromide?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-triphenylphosphanium bromide (CID 10393091) is [4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-triphenylphosphanium bromide.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-triphenylphosphanium bromide?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-triphenylphosphanium bromide is CC(C)(C)[Si](C)(C)Oc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Br-].
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-triphenylphosphanium bromide?
The InChIKey is KNFXYVHYTHGIOI-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H36OPSi.BrH/c1-31(2,3)34(4,5)32-27-23-21-26(22-24-27)25-33(28-15-9-6-10-16-28,29-17-11-7-12-18-29)30-19-13-8-14-20-30;/h6-24H,25H2,1-5H3;1H/q+1;/p-1.
What are the key properties of [4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-triphenylphosphanium bromide?
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-triphenylphosphanium bromide has a molecular weight of 563.59 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-triphenylphosphanium bromide is sourced from PubChem (CID 10393091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).