dimethyl-(2-nitroethoxy)-[(E)-3-phenylprop-2-enoxy]silane

C13H19NO4Si — CID 15833449

IUPACdimethyl-(2-nitroethoxy)-[(E)-3-phenylprop-2-enoxy]silane
SMILESC[Si](C)(OC/C=C/c1ccccc1)OCC[N+](=O)[O-]
InChIInChI=1S/C13H19NO4Si/c1-19(2,18-12-10-14(15)16)17-11-6-9-13-7-4-3-5-8-13/h3-9H,10-12H2,1-2H3/b9-6+
InChIKeyNWSKTVWNGUZTOU-RMKNXTFCSA-N
MW281.38 g/mol
LogP2.71
Rot. Bonds8

About dimethyl-(2-nitroethoxy)-[(E)-3-phenylprop-2-enoxy]silane

dimethyl-(2-nitroethoxy)-[(E)-3-phenylprop-2-enoxy]silane (PubChem CID 15833449) has the molecular formula C13H19NO4Si and a molecular weight of 281.38 g/mol. Its IUPAC name is dimethyl-(2-nitroethoxy)-[(E)-3-phenylprop-2-enoxy]silane.

Molecular Properties

Compound Namedimethyl-(2-nitroethoxy)-[(E)-3-phenylprop-2-enoxy]silane
PubChem CID15833449
Molecular FormulaC13H19NO4Si
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Namedimethyl-(2-nitroethoxy)-[(E)-3-phenylprop-2-enoxy]silane
SMILESC[Si](C)(OC/C=C/c1ccccc1)OCC[N+](=O)[O-]
InChIInChI=1S/C13H19NO4Si/c1-19(2,18-12-10-14(15)16)17-11-6-9-13-7-4-3-5-8-13/h3-9H,10-12H2,1-2H3/b9-6+
InChIKeyNWSKTVWNGUZTOU-RMKNXTFCSA-N
XLogP2.71
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 dimethyl-(2-nitroethoxy)-[(E)-3-phenylprop-2-enoxy]silane?
The IUPAC name of dimethyl-(2-nitroethoxy)-[(E)-3-phenylprop-2-enoxy]silane (CID 15833449) is dimethyl-(2-nitroethoxy)-[(E)-3-phenylprop-2-enoxy]silane.
What is the SMILES notation for dimethyl-(2-nitroethoxy)-[(E)-3-phenylprop-2-enoxy]silane?
The canonical SMILES for dimethyl-(2-nitroethoxy)-[(E)-3-phenylprop-2-enoxy]silane is C[Si](C)(OC/C=C/c1ccccc1)OCC[N+](=O)[O-].
What is the InChIKey of dimethyl-(2-nitroethoxy)-[(E)-3-phenylprop-2-enoxy]silane?
The InChIKey is NWSKTVWNGUZTOU-RMKNXTFCSA-N. The full InChI is InChI=1S/C13H19NO4Si/c1-19(2,18-12-10-14(15)16)17-11-6-9-13-7-4-3-5-8-13/h3-9H,10-12H2,1-2H3/b9-6+.
What are the key properties of dimethyl-(2-nitroethoxy)-[(E)-3-phenylprop-2-enoxy]silane?
dimethyl-(2-nitroethoxy)-[(E)-3-phenylprop-2-enoxy]silane has a molecular weight of 281.38 g/mol, XLogP of 2.71, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-nitroethoxy)-[(E)-3-phenylprop-2-enoxy]silane is sourced from PubChem (CID 15833449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).