tert-butyl-(2-nitroethoxy)-diphenylsilane

C18H23NO3Si — CID 14974754

IUPACtert-butyl-(2-nitroethoxy)-diphenylsilane
SMILESCC(C)(C)[Si](OCC[N+](=O)[O-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO3Si/c1-18(2,3)23(22-15-14-19(20)21,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3
InChIKeyCTAFQBADUQTXHJ-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.84
Rot. Bonds6

About tert-butyl-(2-nitroethoxy)-diphenylsilane

tert-butyl-(2-nitroethoxy)-diphenylsilane (PubChem CID 14974754) has the molecular formula C18H23NO3Si and a molecular weight of 329.47 g/mol. Its IUPAC name is tert-butyl-(2-nitroethoxy)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(2-nitroethoxy)-diphenylsilane
PubChem CID14974754
Molecular FormulaC18H23NO3Si
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Nametert-butyl-(2-nitroethoxy)-diphenylsilane
SMILESCC(C)(C)[Si](OCC[N+](=O)[O-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO3Si/c1-18(2,3)23(22-15-14-19(20)21,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3
InChIKeyCTAFQBADUQTXHJ-UHFFFAOYSA-N
XLogP2.84
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.84
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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Related Compounds

tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane
CID 54264356
2-[tert-butyl(diphenyl)silyl]oxy-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]ethanamine
CID 11146292
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-1-nitrooxypentan-2-yl] nitrate
CID 58812389
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
2,2-bis(hydroxymethyl)propane-1,3-diol;tert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;tris(nitric acid)
CID 173143154
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]-diphenylsilane
CID 68632670

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2-nitroethoxy)-diphenylsilane?
The IUPAC name of tert-butyl-(2-nitroethoxy)-diphenylsilane (CID 14974754) is tert-butyl-(2-nitroethoxy)-diphenylsilane.
What is the SMILES notation for tert-butyl-(2-nitroethoxy)-diphenylsilane?
The canonical SMILES for tert-butyl-(2-nitroethoxy)-diphenylsilane is CC(C)(C)[Si](OCC[N+](=O)[O-])(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-(2-nitroethoxy)-diphenylsilane?
The InChIKey is CTAFQBADUQTXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3Si/c1-18(2,3)23(22-15-14-19(20)21,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3.
What are the key properties of tert-butyl-(2-nitroethoxy)-diphenylsilane?
tert-butyl-(2-nitroethoxy)-diphenylsilane has a molecular weight of 329.47 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-nitroethoxy)-diphenylsilane is sourced from PubChem (CID 14974754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).