trimethyl-(2-nitrophenoxy)silane

C9H13NO3Si — CID 607254

IUPACtrimethyl-(2-nitrophenoxy)silane
SMILESC[Si](C)(C)Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H13NO3Si/c1-14(2,3)13-9-7-5-4-6-8(9)10(11)12/h4-7H,1-3H3
InChIKeyKPYOWYWLPHAMOF-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.81
Rot. Bonds3

About trimethyl-(2-nitrophenoxy)silane

trimethyl-(2-nitrophenoxy)silane (PubChem CID 607254) has the molecular formula C9H13NO3Si and a molecular weight of 211.29 g/mol. Its IUPAC name is trimethyl-(2-nitrophenoxy)silane.

Molecular Properties

Compound Nametrimethyl-(2-nitrophenoxy)silane
PubChem CID607254
Molecular FormulaC9H13NO3Si
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Nametrimethyl-(2-nitrophenoxy)silane
SMILESC[Si](C)(C)Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H13NO3Si/c1-14(2,3)13-9-7-5-4-6-8(9)10(11)12/h4-7H,1-3H3
InChIKeyKPYOWYWLPHAMOF-UHFFFAOYSA-N
XLogP2.81
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.81
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'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(2-nitrophenoxy)silane?
The IUPAC name of trimethyl-(2-nitrophenoxy)silane (CID 607254) is trimethyl-(2-nitrophenoxy)silane.
What is the SMILES notation for trimethyl-(2-nitrophenoxy)silane?
The canonical SMILES for trimethyl-(2-nitrophenoxy)silane is C[Si](C)(C)Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of trimethyl-(2-nitrophenoxy)silane?
The InChIKey is KPYOWYWLPHAMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3Si/c1-14(2,3)13-9-7-5-4-6-8(9)10(11)12/h4-7H,1-3H3.
What are the key properties of trimethyl-(2-nitrophenoxy)silane?
trimethyl-(2-nitrophenoxy)silane has a molecular weight of 211.29 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(2-nitrophenoxy)silane is sourced from PubChem (CID 607254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).