tert-butyl-dimethyl-(2-nitro-4-thiophen-2-ylphenoxy)silane

C16H21NO3SSi — CID 59736932

IUPACtert-butyl-dimethyl-(2-nitro-4-thiophen-2-ylphenoxy)silane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2cccs2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H21NO3SSi/c1-16(2,3)22(4,5)20-14-9-8-12(11-13(14)17(18)19)15-7-6-10-21-15/h6-11H,1-5H3
InChIKeySWXGICZPSCXWLT-UHFFFAOYSA-N
MW335.50 g/mol
LogP5.71
Rot. Bonds4

About tert-butyl-dimethyl-(2-nitro-4-thiophen-2-ylphenoxy)silane

tert-butyl-dimethyl-(2-nitro-4-thiophen-2-ylphenoxy)silane (PubChem CID 59736932) has the molecular formula C16H21NO3SSi and a molecular weight of 335.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-(2-nitro-4-thiophen-2-ylphenoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(2-nitro-4-thiophen-2-ylphenoxy)silane
PubChem CID59736932
Molecular FormulaC16H21NO3SSi
Molecular Weight335.50 g/mol
Exact Mass335.10
IUPAC Nametert-butyl-dimethyl-(2-nitro-4-thiophen-2-ylphenoxy)silane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2cccs2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H21NO3SSi/c1-16(2,3)22(4,5)20-14-9-8-12(11-13(14)17(18)19)15-7-6-10-21-15/h6-11H,1-5H3
InChIKeySWXGICZPSCXWLT-UHFFFAOYSA-N
XLogP5.71
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.50
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(2-nitro-4-thiophen-2-ylphenoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(2-nitro-4-thiophen-2-ylphenoxy)silane (CID 59736932) is tert-butyl-dimethyl-(2-nitro-4-thiophen-2-ylphenoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(2-nitro-4-thiophen-2-ylphenoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(2-nitro-4-thiophen-2-ylphenoxy)silane is CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccs2)cc1[N+](=O)[O-].
What is the InChIKey of tert-butyl-dimethyl-(2-nitro-4-thiophen-2-ylphenoxy)silane?
The InChIKey is SWXGICZPSCXWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3SSi/c1-16(2,3)22(4,5)20-14-9-8-12(11-13(14)17(18)19)15-7-6-10-21-15/h6-11H,1-5H3.
What are the key properties of tert-butyl-dimethyl-(2-nitro-4-thiophen-2-ylphenoxy)silane?
tert-butyl-dimethyl-(2-nitro-4-thiophen-2-ylphenoxy)silane has a molecular weight of 335.50 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(2-nitro-4-thiophen-2-ylphenoxy)silane is sourced from PubChem (CID 59736932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).