tert-butyl-(2-nitrophenoxy)-diphenylsilane

C22H23NO3Si — CID 91423635

IUPACtert-butyl-(2-nitrophenoxy)-diphenylsilane
SMILESCC(C)(C)[Si](Oc1ccccc1[N+](=O)[O-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23NO3Si/c1-22(2,3)27(18-12-6-4-7-13-18,19-14-8-5-9-15-19)26-21-17-11-10-16-20(21)23(24)25/h4-17H,1-3H3
InChIKeyULFAXHWPYSOZIU-UHFFFAOYSA-N
MW377.52 g/mol
LogP4.53
Rot. Bonds5

About tert-butyl-(2-nitrophenoxy)-diphenylsilane

tert-butyl-(2-nitrophenoxy)-diphenylsilane (PubChem CID 91423635) has the molecular formula C22H23NO3Si and a molecular weight of 377.52 g/mol. Its IUPAC name is tert-butyl-(2-nitrophenoxy)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(2-nitrophenoxy)-diphenylsilane
PubChem CID91423635
Molecular FormulaC22H23NO3Si
Molecular Weight377.52 g/mol
Exact Mass377.14
IUPAC Nametert-butyl-(2-nitrophenoxy)-diphenylsilane
SMILESCC(C)(C)[Si](Oc1ccccc1[N+](=O)[O-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23NO3Si/c1-22(2,3)27(18-12-6-4-7-13-18,19-14-8-5-9-15-19)26-21-17-11-10-16-20(21)23(24)25/h4-17H,1-3H3
InChIKeyULFAXHWPYSOZIU-UHFFFAOYSA-N
XLogP4.53
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.52
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl-(2-nitrophenoxy)-diphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2-nitrophenoxy)-diphenylsilane?
The IUPAC name of tert-butyl-(2-nitrophenoxy)-diphenylsilane (CID 91423635) is tert-butyl-(2-nitrophenoxy)-diphenylsilane.
What is the SMILES notation for tert-butyl-(2-nitrophenoxy)-diphenylsilane?
The canonical SMILES for tert-butyl-(2-nitrophenoxy)-diphenylsilane is CC(C)(C)[Si](Oc1ccccc1[N+](=O)[O-])(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-(2-nitrophenoxy)-diphenylsilane?
The InChIKey is ULFAXHWPYSOZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3Si/c1-22(2,3)27(18-12-6-4-7-13-18,19-14-8-5-9-15-19)26-21-17-11-10-16-20(21)23(24)25/h4-17H,1-3H3.
What are the key properties of tert-butyl-(2-nitrophenoxy)-diphenylsilane?
tert-butyl-(2-nitrophenoxy)-diphenylsilane has a molecular weight of 377.52 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-nitrophenoxy)-diphenylsilane is sourced from PubChem (CID 91423635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).