trimethyl-[(E)-2-[(2R,3R)-3-(4-nitrophenyl)oxiran-2-yl]ethenyl]silane

C13H17NO3Si — CID 101241776

IUPACtrimethyl-[(E)-2-[(2R,3R)-3-(4-nitrophenyl)oxiran-2-yl]ethenyl]silane
SMILESC[Si](C)(C)/C=C/[C@H]1O[C@@H]1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H17NO3Si/c1-18(2,3)9-8-12-13(17-12)10-4-6-11(7-5-10)14(15)16/h4-9,12-13H,1-3H3/b9-8+/t12-,13-/m1/s1
InChIKeyXKYJSWHCHBTTJN-RYYBZQDPSA-N
MW263.37 g/mol
LogP3.47
Rot. Bonds4

About trimethyl-[(E)-2-[(2R,3R)-3-(4-nitrophenyl)oxiran-2-yl]ethenyl]silane

trimethyl-[(E)-2-[(2R,3R)-3-(4-nitrophenyl)oxiran-2-yl]ethenyl]silane (PubChem CID 101241776) has the molecular formula C13H17NO3Si and a molecular weight of 263.37 g/mol. Its IUPAC name is trimethyl-[(E)-2-[(2R,3R)-3-(4-nitrophenyl)oxiran-2-yl]ethenyl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-2-[(2R,3R)-3-(4-nitrophenyl)oxiran-2-yl]ethenyl]silane
PubChem CID101241776
Molecular FormulaC13H17NO3Si
Molecular Weight263.37 g/mol
Exact Mass263.10
IUPAC Nametrimethyl-[(E)-2-[(2R,3R)-3-(4-nitrophenyl)oxiran-2-yl]ethenyl]silane
SMILESC[Si](C)(C)/C=C/[C@H]1O[C@@H]1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H17NO3Si/c1-18(2,3)9-8-12-13(17-12)10-4-6-11(7-5-10)14(15)16/h4-9,12-13H,1-3H3/b9-8+/t12-,13-/m1/s1
InChIKeyXKYJSWHCHBTTJN-RYYBZQDPSA-N
XLogP3.47
TPSA55.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.47
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2-ethenyl-3-(4-nitrophenyl)oxirane
CID 15358071
trimethyl-[(E)-2-(4-nitrophenyl)ethenyl]silane
CID 13196779
2-(4-nitrophenyl)-3-propan-2-yloxirane
CID 175233760
2,2,4-trimethyl-5-(4-nitrophenyl)-1,3-dioxolane
CID 131850091
[(2S,3R)-3-(4-nitrophenyl)oxiran-2-yl]methanol
CID 15678237
trimethyl-[(E)-6-(4-nitrophenyl)hex-1-en-3,5-diynyl]silane
CID 11196481
(2R,5R)-2,5-bis(4-nitrophenyl)oxolane
CID 14770197
2-isocyanato-3-(4-nitrophenyl)oxirane
CID 134895347
(4S,5R)-4-methyl-5-(4-nitrophenyl)-1,3-oxazolidin-2-one
CID 13307960
(4-methylphenyl)-[(2S,3R)-3-(4-nitrophenyl)oxiran-2-yl]methanone
CID 132961714
(E)-3-(4-nitrophenyl)-1-[3-(4-nitrophenyl)oxiran-2-yl]prop-2-en-1-one
CID 15587742
2,2,2-triethoxy-4,5-bis(4-nitrophenyl)-1,3,2λ5-dioxaphospholane
CID 23416862

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-2-[(2R,3R)-3-(4-nitrophenyl)oxiran-2-yl]ethenyl]silane?
The IUPAC name of trimethyl-[(E)-2-[(2R,3R)-3-(4-nitrophenyl)oxiran-2-yl]ethenyl]silane (CID 101241776) is trimethyl-[(E)-2-[(2R,3R)-3-(4-nitrophenyl)oxiran-2-yl]ethenyl]silane.
What is the SMILES notation for trimethyl-[(E)-2-[(2R,3R)-3-(4-nitrophenyl)oxiran-2-yl]ethenyl]silane?
The canonical SMILES for trimethyl-[(E)-2-[(2R,3R)-3-(4-nitrophenyl)oxiran-2-yl]ethenyl]silane is C[Si](C)(C)/C=C/[C@H]1O[C@@H]1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of trimethyl-[(E)-2-[(2R,3R)-3-(4-nitrophenyl)oxiran-2-yl]ethenyl]silane?
The InChIKey is XKYJSWHCHBTTJN-RYYBZQDPSA-N. The full InChI is InChI=1S/C13H17NO3Si/c1-18(2,3)9-8-12-13(17-12)10-4-6-11(7-5-10)14(15)16/h4-9,12-13H,1-3H3/b9-8+/t12-,13-/m1/s1.
What are the key properties of trimethyl-[(E)-2-[(2R,3R)-3-(4-nitrophenyl)oxiran-2-yl]ethenyl]silane?
trimethyl-[(E)-2-[(2R,3R)-3-(4-nitrophenyl)oxiran-2-yl]ethenyl]silane has a molecular weight of 263.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-2-[(2R,3R)-3-(4-nitrophenyl)oxiran-2-yl]ethenyl]silane is sourced from PubChem (CID 101241776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).