tert-butyl-(3-methylphenoxy)-diphenylsilane

C23H26OSi — CID 532598

IUPACtert-butyl-(3-methylphenoxy)-diphenylsilane
SMILESCc1cccc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1
InChIInChI=1S/C23H26OSi/c1-19-12-11-13-20(18-19)24-25(23(2,3)4,21-14-7-5-8-15-21)22-16-9-6-10-17-22/h5-18H,1-4H3
InChIKeyFTZYVUYMVATWKN-UHFFFAOYSA-N
MW346.55 g/mol
LogP4.93
Rot. Bonds4

About tert-butyl-(3-methylphenoxy)-diphenylsilane

tert-butyl-(3-methylphenoxy)-diphenylsilane (PubChem CID 532598) has the molecular formula C23H26OSi and a molecular weight of 346.55 g/mol. Its IUPAC name is tert-butyl-(3-methylphenoxy)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(3-methylphenoxy)-diphenylsilane
PubChem CID532598
Molecular FormulaC23H26OSi
Molecular Weight346.55 g/mol
Exact Mass346.18
IUPAC Nametert-butyl-(3-methylphenoxy)-diphenylsilane
SMILESCc1cccc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1
InChIInChI=1S/C23H26OSi/c1-19-12-11-13-20(18-19)24-25(23(2,3)4,21-14-7-5-8-15-21)22-16-9-6-10-17-22/h5-18H,1-4H3
InChIKeyFTZYVUYMVATWKN-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.55
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3-methylphenoxy)-diphenylsilane?
The IUPAC name of tert-butyl-(3-methylphenoxy)-diphenylsilane (CID 532598) is tert-butyl-(3-methylphenoxy)-diphenylsilane.
What is the SMILES notation for tert-butyl-(3-methylphenoxy)-diphenylsilane?
The canonical SMILES for tert-butyl-(3-methylphenoxy)-diphenylsilane is Cc1cccc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1.
What is the InChIKey of tert-butyl-(3-methylphenoxy)-diphenylsilane?
The InChIKey is FTZYVUYMVATWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26OSi/c1-19-12-11-13-20(18-19)24-25(23(2,3)4,21-14-7-5-8-15-21)22-16-9-6-10-17-22/h5-18H,1-4H3.
What are the key properties of tert-butyl-(3-methylphenoxy)-diphenylsilane?
tert-butyl-(3-methylphenoxy)-diphenylsilane has a molecular weight of 346.55 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-methylphenoxy)-diphenylsilane is sourced from PubChem (CID 532598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).