4-tert-butyl-2-methyl-6-triphenylsilylphenol

C29H30OSi — CID 13297810

IUPAC4-tert-butyl-2-methyl-6-triphenylsilylphenol
SMILESCc1cc(C(C)(C)C)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C29H30OSi/c1-22-20-23(29(2,3)4)21-27(28(22)30)31(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-21,30H,1-4H3
InChIKeyNLYFSKINYUELOT-UHFFFAOYSA-N
MW422.64 g/mol
LogP4.38
Rot. Bonds4

About 4-tert-butyl-2-methyl-6-triphenylsilylphenol

4-tert-butyl-2-methyl-6-triphenylsilylphenol (PubChem CID 13297810) has the molecular formula C29H30OSi and a molecular weight of 422.64 g/mol. Its IUPAC name is 4-tert-butyl-2-methyl-6-triphenylsilylphenol.

Molecular Properties

Compound Name4-tert-butyl-2-methyl-6-triphenylsilylphenol
PubChem CID13297810
Molecular FormulaC29H30OSi
Molecular Weight422.64 g/mol
Exact Mass422.21
IUPAC Name4-tert-butyl-2-methyl-6-triphenylsilylphenol
SMILESCc1cc(C(C)(C)C)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C29H30OSi/c1-22-20-23(29(2,3)4)21-27(28(22)30)31(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-21,30H,1-4H3
InChIKeyNLYFSKINYUELOT-UHFFFAOYSA-N
XLogP4.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.64
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methyl-6-triphenylsilylphenol?
The IUPAC name of 4-tert-butyl-2-methyl-6-triphenylsilylphenol (CID 13297810) is 4-tert-butyl-2-methyl-6-triphenylsilylphenol.
What is the SMILES notation for 4-tert-butyl-2-methyl-6-triphenylsilylphenol?
The canonical SMILES for 4-tert-butyl-2-methyl-6-triphenylsilylphenol is Cc1cc(C(C)(C)C)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1O.
What is the InChIKey of 4-tert-butyl-2-methyl-6-triphenylsilylphenol?
The InChIKey is NLYFSKINYUELOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30OSi/c1-22-20-23(29(2,3)4)21-27(28(22)30)31(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-21,30H,1-4H3.
What are the key properties of 4-tert-butyl-2-methyl-6-triphenylsilylphenol?
4-tert-butyl-2-methyl-6-triphenylsilylphenol has a molecular weight of 422.64 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methyl-6-triphenylsilylphenol is sourced from PubChem (CID 13297810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).