tert-butyl-dimethyl-[(E)-3-(4-nitrophenyl)prop-2-enoxy]silane

C15H23NO3Si — CID 177135121

IUPACtert-butyl-dimethyl-[(E)-3-(4-nitrophenyl)prop-2-enoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC/C=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H23NO3Si/c1-15(2,3)20(4,5)19-12-6-7-13-8-10-14(11-9-13)16(17)18/h6-11H,12H2,1-5H3/b7-6+
InChIKeyJGAVIANGKQENEX-VOTSOKGWSA-N
MW293.44 g/mol
LogP4.63
Rot. Bonds5

About tert-butyl-dimethyl-[(E)-3-(4-nitrophenyl)prop-2-enoxy]silane

tert-butyl-dimethyl-[(E)-3-(4-nitrophenyl)prop-2-enoxy]silane (PubChem CID 177135121) has the molecular formula C15H23NO3Si and a molecular weight of 293.44 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-3-(4-nitrophenyl)prop-2-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-3-(4-nitrophenyl)prop-2-enoxy]silane
PubChem CID177135121
Molecular FormulaC15H23NO3Si
Molecular Weight293.44 g/mol
Exact Mass293.14
IUPAC Nametert-butyl-dimethyl-[(E)-3-(4-nitrophenyl)prop-2-enoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC/C=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H23NO3Si/c1-15(2,3)20(4,5)19-12-6-7-13-8-10-14(11-9-13)16(17)18/h6-11H,12H2,1-5H3/b7-6+
InChIKeyJGAVIANGKQENEX-VOTSOKGWSA-N
XLogP4.63
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 54.63
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-dimethyl-[2-methyl-2-(4-nitrophenyl)propoxy]silane
CID 58994475
1-methyl-4-[(E)-3-(4-nitrophenyl)prop-2-enoxy]benzene
CID 6377413
1-[(E)-3-bromoprop-1-enyl]-4-nitrobenzene
CID 10444388
trimethyl-[(E)-2-(4-nitrophenyl)ethenyl]silane
CID 13196779
tert-butyl-dimethyl-[4-(4-nitrophenyl)but-3-ynoxy]silane
CID 134112604
tert-butyl-dimethyl-[(1Z,3Z)-4-(4-nitrophenyl)-1-phenylbuta-1,3-dienoxy]silane
CID 102342625
tert-butyl-[3-(3-chlorophenyl)prop-2-enoxy]-dimethylsilane
CID 67464197
tert-butyl-[(2-iodo-4-nitrophenyl)methoxy]-dimethylsilane
CID 162768339
1-[(Z)-2-methoxyethenyl]-4-nitrobenzene
CID 12555318
dimethyl-[(E)-2-(4-nitrophenyl)ethenyl]sulfanium
CID 23271274
(3R,4S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-4-(4-nitrophenyl)butan-2-one
CID 24862194
[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl] (4-nitrophenyl) carbonate
CID 54541945

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-3-(4-nitrophenyl)prop-2-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-3-(4-nitrophenyl)prop-2-enoxy]silane (CID 177135121) is tert-butyl-dimethyl-[(E)-3-(4-nitrophenyl)prop-2-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-3-(4-nitrophenyl)prop-2-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-3-(4-nitrophenyl)prop-2-enoxy]silane is CC(C)(C)[Si](C)(C)OC/C=C/c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of tert-butyl-dimethyl-[(E)-3-(4-nitrophenyl)prop-2-enoxy]silane?
The InChIKey is JGAVIANGKQENEX-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H23NO3Si/c1-15(2,3)20(4,5)19-12-6-7-13-8-10-14(11-9-13)16(17)18/h6-11H,12H2,1-5H3/b7-6+.
What are the key properties of tert-butyl-dimethyl-[(E)-3-(4-nitrophenyl)prop-2-enoxy]silane?
tert-butyl-dimethyl-[(E)-3-(4-nitrophenyl)prop-2-enoxy]silane has a molecular weight of 293.44 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-3-(4-nitrophenyl)prop-2-enoxy]silane is sourced from PubChem (CID 177135121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).