4-[1-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol

C24H37NOSi — CID 19971859

IUPAC4-[1-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol
SMILESCC(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[Si](C)(C)c1ccc(N)cc1
InChIInChI=1S/C24H37NOSi/c1-16(27(8,9)19-12-10-18(25)11-13-19)17-14-20(23(2,3)4)22(26)21(15-17)24(5,6)7/h10-16,26H,25H2,1-9H3
InChIKeyOLTAHYFCEFEKAS-UHFFFAOYSA-N
MW383.65 g/mol
LogP5.83
Rot. Bonds3

About 4-[1-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol

4-[1-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol (PubChem CID 19971859) has the molecular formula C24H37NOSi and a molecular weight of 383.65 g/mol. Its IUPAC name is 4-[1-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol.

Molecular Properties

Compound Name4-[1-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol
PubChem CID19971859
Molecular FormulaC24H37NOSi
Molecular Weight383.65 g/mol
Exact Mass383.26
IUPAC Name4-[1-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol
SMILESCC(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[Si](C)(C)c1ccc(N)cc1
InChIInChI=1S/C24H37NOSi/c1-16(27(8,9)19-12-10-18(25)11-13-19)17-14-20(23(2,3)4)22(26)21(15-17)24(5,6)7/h10-16,26H,25H2,1-9H3
InChIKeyOLTAHYFCEFEKAS-UHFFFAOYSA-N
XLogP5.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.65
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol?
The IUPAC name of 4-[1-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol (CID 19971859) is 4-[1-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol.
What is the SMILES notation for 4-[1-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol?
The canonical SMILES for 4-[1-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol is CC(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[Si](C)(C)c1ccc(N)cc1.
What is the InChIKey of 4-[1-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol?
The InChIKey is OLTAHYFCEFEKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NOSi/c1-16(27(8,9)19-12-10-18(25)11-13-19)17-14-20(23(2,3)4)22(26)21(15-17)24(5,6)7/h10-16,26H,25H2,1-9H3.
What are the key properties of 4-[1-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol?
4-[1-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol has a molecular weight of 383.65 g/mol, XLogP of 5.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol is sourced from PubChem (CID 19971859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).