trimethyl-[1-(nitromethyl)cyclobutyl]oxysilane

C8H17NO3Si — CID 156643751

IUPACtrimethyl-[1-(nitromethyl)cyclobutyl]oxysilane
SMILESC[Si](C)(C)OC1(C[N+](=O)[O-])CCC1
InChIInChI=1S/C8H17NO3Si/c1-13(2,3)12-8(5-4-6-8)7-9(10)11/h4-7H2,1-3H3
InChIKeyMSJZUXHZLYHSPG-UHFFFAOYSA-N
MW203.31 g/mol
LogP2.04
Rot. Bonds4

About trimethyl-[1-(nitromethyl)cyclobutyl]oxysilane

trimethyl-[1-(nitromethyl)cyclobutyl]oxysilane (PubChem CID 156643751) has the molecular formula C8H17NO3Si and a molecular weight of 203.31 g/mol. Its IUPAC name is trimethyl-[1-(nitromethyl)cyclobutyl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[1-(nitromethyl)cyclobutyl]oxysilane
PubChem CID156643751
Molecular FormulaC8H17NO3Si
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Nametrimethyl-[1-(nitromethyl)cyclobutyl]oxysilane
SMILESC[Si](C)(C)OC1(C[N+](=O)[O-])CCC1
InChIInChI=1S/C8H17NO3Si/c1-13(2,3)12-8(5-4-6-8)7-9(10)11/h4-7H2,1-3H3
InChIKeyMSJZUXHZLYHSPG-UHFFFAOYSA-N
XLogP2.04
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 52.04
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-[1-(nitromethyl)cyclobutyl]oxysilane?
The IUPAC name of trimethyl-[1-(nitromethyl)cyclobutyl]oxysilane (CID 156643751) is trimethyl-[1-(nitromethyl)cyclobutyl]oxysilane.
What is the SMILES notation for trimethyl-[1-(nitromethyl)cyclobutyl]oxysilane?
The canonical SMILES for trimethyl-[1-(nitromethyl)cyclobutyl]oxysilane is C[Si](C)(C)OC1(C[N+](=O)[O-])CCC1.
What is the InChIKey of trimethyl-[1-(nitromethyl)cyclobutyl]oxysilane?
The InChIKey is MSJZUXHZLYHSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3Si/c1-13(2,3)12-8(5-4-6-8)7-9(10)11/h4-7H2,1-3H3.
What are the key properties of trimethyl-[1-(nitromethyl)cyclobutyl]oxysilane?
trimethyl-[1-(nitromethyl)cyclobutyl]oxysilane has a molecular weight of 203.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-(nitromethyl)cyclobutyl]oxysilane is sourced from PubChem (CID 156643751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).