trimethyl-[1-(4-nitrophenyl)ethenoxy]silane

C11H15NO3Si — CID 11831456

IUPACtrimethyl-[1-(4-nitrophenyl)ethenoxy]silane
SMILESC=C(O[Si](C)(C)C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H15NO3Si/c1-9(15-16(2,3)4)10-5-7-11(8-6-10)12(13)14/h5-8H,1H2,2-4H3
InChIKeySDCMRXULPLHIOJ-UHFFFAOYSA-N
MW237.33 g/mol
LogP3.42
Rot. Bonds4

About trimethyl-[1-(4-nitrophenyl)ethenoxy]silane

trimethyl-[1-(4-nitrophenyl)ethenoxy]silane (PubChem CID 11831456) has the molecular formula C11H15NO3Si and a molecular weight of 237.33 g/mol. Its IUPAC name is trimethyl-[1-(4-nitrophenyl)ethenoxy]silane.

Molecular Properties

Compound Nametrimethyl-[1-(4-nitrophenyl)ethenoxy]silane
PubChem CID11831456
Molecular FormulaC11H15NO3Si
Molecular Weight237.33 g/mol
Exact Mass237.08
IUPAC Nametrimethyl-[1-(4-nitrophenyl)ethenoxy]silane
SMILESC=C(O[Si](C)(C)C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H15NO3Si/c1-9(15-16(2,3)4)10-5-7-11(8-6-10)12(13)14/h5-8H,1H2,2-4H3
InChIKeySDCMRXULPLHIOJ-UHFFFAOYSA-N
XLogP3.42
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-[1-(4-nitrophenyl)ethenoxy]silane?
The IUPAC name of trimethyl-[1-(4-nitrophenyl)ethenoxy]silane (CID 11831456) is trimethyl-[1-(4-nitrophenyl)ethenoxy]silane.
What is the SMILES notation for trimethyl-[1-(4-nitrophenyl)ethenoxy]silane?
The canonical SMILES for trimethyl-[1-(4-nitrophenyl)ethenoxy]silane is C=C(O[Si](C)(C)C)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of trimethyl-[1-(4-nitrophenyl)ethenoxy]silane?
The InChIKey is SDCMRXULPLHIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3Si/c1-9(15-16(2,3)4)10-5-7-11(8-6-10)12(13)14/h5-8H,1H2,2-4H3.
What are the key properties of trimethyl-[1-(4-nitrophenyl)ethenoxy]silane?
trimethyl-[1-(4-nitrophenyl)ethenoxy]silane has a molecular weight of 237.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-(4-nitrophenyl)ethenoxy]silane is sourced from PubChem (CID 11831456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).