[4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium

C22H26NOSi+ — CID 140590234

IUPAC[4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium
SMILESCC(C)(C)[Si](Oc1ccc([NH3+])cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NOSi/c1-22(2,3)25(20-10-6-4-7-11-20,21-12-8-5-9-13-21)24-19-16-14-18(23)15-17-19/h4-17H,23H2,1-3H3/p+1
InChIKeyDSYAQNLSKIJKFI-UHFFFAOYSA-O
MW348.54 g/mol
LogP3.50
Rot. Bonds4

About [4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium

[4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium (PubChem CID 140590234) has the molecular formula C22H26NOSi+ and a molecular weight of 348.54 g/mol. Its IUPAC name is [4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium.

Molecular Properties

Compound Name[4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium
PubChem CID140590234
Molecular FormulaC22H26NOSi+
Molecular Weight348.54 g/mol
Exact Mass348.18
IUPAC Name[4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium
SMILESCC(C)(C)[Si](Oc1ccc([NH3+])cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NOSi/c1-22(2,3)25(20-10-6-4-7-11-20,21-12-8-5-9-13-21)24-19-16-14-18(23)15-17-19/h4-17H,23H2,1-3H3/p+1
InChIKeyDSYAQNLSKIJKFI-UHFFFAOYSA-O
XLogP3.50
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane
CID 135016093
1-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]ethanamine
CID 68688965
2-[4-[tert-butyl(diphenyl)silyl]oxyphenoxy]ethanol
CID 10916195
(Z)-1-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-1-phenyl-N-trimethylsilylmethanimine
CID 140756079
(2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]propan-2-amine
CID 11700207
2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde
CID 44598255
5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybenzamide
CID 177114927
tert-butyl-diphenyl-trimethylsilyloxysilane
CID 3876189
(3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane
CID 101484237
methyl 6-[tert-butyl(diphenyl)silyl]oxynaphthalene-2-carboxylate
CID 14645565
7-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydrochromen-4-one
CID 58438647
3-[6-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydroinden-1-yl]prop-2-enal
CID 173311465

Frequently Asked Questions

What is the IUPAC name of [4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium?
The IUPAC name of [4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium (CID 140590234) is [4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium.
What is the SMILES notation for [4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium?
The canonical SMILES for [4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium is CC(C)(C)[Si](Oc1ccc([NH3+])cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium?
The InChIKey is DSYAQNLSKIJKFI-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H25NOSi/c1-22(2,3)25(20-10-6-4-7-11-20,21-12-8-5-9-13-21)24-19-16-14-18(23)15-17-19/h4-17H,23H2,1-3H3/p+1.
What are the key properties of [4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium?
[4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium has a molecular weight of 348.54 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium is sourced from PubChem (CID 140590234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).