trimethoxy-(4-nitrosophenyl)silane

C9H13NO4Si — CID 57104054

IUPACtrimethoxy-(4-nitrosophenyl)silane
SMILESCO[Si](OC)(OC)c1ccc(N=O)cc1
InChIInChI=1S/C9H13NO4Si/c1-12-15(13-2,14-3)9-6-4-8(10-11)5-7-9/h4-7H,1-3H3
InChIKeyPHFUFBMZEIOQKE-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.17
Rot. Bonds5

About trimethoxy-(4-nitrosophenyl)silane

trimethoxy-(4-nitrosophenyl)silane (PubChem CID 57104054) has the molecular formula C9H13NO4Si and a molecular weight of 227.29 g/mol. Its IUPAC name is trimethoxy-(4-nitrosophenyl)silane.

Molecular Properties

Compound Nametrimethoxy-(4-nitrosophenyl)silane
PubChem CID57104054
Molecular FormulaC9H13NO4Si
Molecular Weight227.29 g/mol
Exact Mass227.06
IUPAC Nametrimethoxy-(4-nitrosophenyl)silane
SMILESCO[Si](OC)(OC)c1ccc(N=O)cc1
InChIInChI=1S/C9H13NO4Si/c1-12-15(13-2,14-3)9-6-4-8(10-11)5-7-9/h4-7H,1-3H3
InChIKeyPHFUFBMZEIOQKE-UHFFFAOYSA-N
XLogP1.17
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 trimethoxy-(4-nitrosophenyl)silane?
The IUPAC name of trimethoxy-(4-nitrosophenyl)silane (CID 57104054) is trimethoxy-(4-nitrosophenyl)silane.
What is the SMILES notation for trimethoxy-(4-nitrosophenyl)silane?
The canonical SMILES for trimethoxy-(4-nitrosophenyl)silane is CO[Si](OC)(OC)c1ccc(N=O)cc1.
What is the InChIKey of trimethoxy-(4-nitrosophenyl)silane?
The InChIKey is PHFUFBMZEIOQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4Si/c1-12-15(13-2,14-3)9-6-4-8(10-11)5-7-9/h4-7H,1-3H3.
What are the key properties of trimethoxy-(4-nitrosophenyl)silane?
trimethoxy-(4-nitrosophenyl)silane has a molecular weight of 227.29 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-(4-nitrosophenyl)silane is sourced from PubChem (CID 57104054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).