tert-butyl-dimethyl-[2-methyl-2-(4-nitrophenyl)propoxy]silane

C16H27NO3Si — CID 58994475

IUPACtert-butyl-dimethyl-[2-methyl-2-(4-nitrophenyl)propoxy]silane
SMILESCC(C)(CO[Si](C)(C)C(C)(C)C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H27NO3Si/c1-15(2,3)21(6,7)20-12-16(4,5)13-8-10-14(11-9-13)17(18)19/h8-11H,12H2,1-7H3
InChIKeyBSWYBLXXAQNQFU-UHFFFAOYSA-N
MW309.48 g/mol
LogP4.89
Rot. Bonds5

About tert-butyl-dimethyl-[2-methyl-2-(4-nitrophenyl)propoxy]silane

tert-butyl-dimethyl-[2-methyl-2-(4-nitrophenyl)propoxy]silane (PubChem CID 58994475) has the molecular formula C16H27NO3Si and a molecular weight of 309.48 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-methyl-2-(4-nitrophenyl)propoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-methyl-2-(4-nitrophenyl)propoxy]silane
PubChem CID58994475
Molecular FormulaC16H27NO3Si
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Nametert-butyl-dimethyl-[2-methyl-2-(4-nitrophenyl)propoxy]silane
SMILESCC(C)(CO[Si](C)(C)C(C)(C)C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H27NO3Si/c1-15(2,3)21(6,7)20-12-16(4,5)13-8-10-14(11-9-13)17(18)19/h8-11H,12H2,1-7H3
InChIKeyBSWYBLXXAQNQFU-UHFFFAOYSA-N
XLogP4.89
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 54.89
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-[2,2-difluoro-3-[(5-nitro-2-pyridinyl)oxy]propoxy]-dimethylsilane
CID 146968088
[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl] (4-nitrophenyl) carbonate
CID 54541945
tert-butyl-dimethyl-[(E)-3-(4-nitrophenyl)prop-2-enoxy]silane
CID 177135121
tert-butyl-dimethyl-[4-(4-nitrophenyl)but-3-ynoxy]silane
CID 134112604
3-methyl-3-(4-nitrophenyl)butan-1-amine
CID 67545065
tert-butyl-[2-(6-fluoro-3-pyridinyl)-2-methylpropoxy]-dimethylsilane
CID 66600694
tert-butyl-[(2-iodo-4-nitrophenyl)methoxy]-dimethylsilane
CID 162768339
1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-nitrobenzene-1,2-diamine
CID 168827188
tert-butyl-dimethyl-[[1-(4-nitrophenyl)imidazol-2-yl]methoxy]silane
CID 169013499
ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-(4-nitrophenyl)butanoate
CID 10761490
1-[2-methyl-1-[2-methyl-2-(4-nitrophenyl)butoxy]butan-2-yl]-4-nitrobenzene
CID 57114959
tert-butyl-dimethyl-[2-(6-nitroindol-1-yl)ethoxy]silane
CID 69073629

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-methyl-2-(4-nitrophenyl)propoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-methyl-2-(4-nitrophenyl)propoxy]silane (CID 58994475) is tert-butyl-dimethyl-[2-methyl-2-(4-nitrophenyl)propoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-methyl-2-(4-nitrophenyl)propoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-methyl-2-(4-nitrophenyl)propoxy]silane is CC(C)(CO[Si](C)(C)C(C)(C)C)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of tert-butyl-dimethyl-[2-methyl-2-(4-nitrophenyl)propoxy]silane?
The InChIKey is BSWYBLXXAQNQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3Si/c1-15(2,3)21(6,7)20-12-16(4,5)13-8-10-14(11-9-13)17(18)19/h8-11H,12H2,1-7H3.
What are the key properties of tert-butyl-dimethyl-[2-methyl-2-(4-nitrophenyl)propoxy]silane?
tert-butyl-dimethyl-[2-methyl-2-(4-nitrophenyl)propoxy]silane has a molecular weight of 309.48 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-methyl-2-(4-nitrophenyl)propoxy]silane is sourced from PubChem (CID 58994475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).