trimethyl-[2-[[5-[(E)-2-nitroprop-1-enyl]imidazol-1-yl]methoxy]ethyl]silane

C12H21N3O3Si — CID 10265860

IUPACtrimethyl-[2-[[5-[(E)-2-nitroprop-1-enyl]imidazol-1-yl]methoxy]ethyl]silane
SMILESC/C(=C\c1cncn1COCC[Si](C)(C)C)[N+](=O)[O-]
InChIInChI=1S/C12H21N3O3Si/c1-11(15(16)17)7-12-8-13-9-14(12)10-18-5-6-19(2,3)4/h7-9H,5-6,10H2,1-4H3/b11-7+
InChIKeyYVNILJQBCGWZDI-YRNVUSSQSA-N
MW283.40 g/mol
LogP2.83
Rot. Bonds7

About trimethyl-[2-[[5-[(E)-2-nitroprop-1-enyl]imidazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[5-[(E)-2-nitroprop-1-enyl]imidazol-1-yl]methoxy]ethyl]silane (PubChem CID 10265860) has the molecular formula C12H21N3O3Si and a molecular weight of 283.40 g/mol. Its IUPAC name is trimethyl-[2-[[5-[(E)-2-nitroprop-1-enyl]imidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[5-[(E)-2-nitroprop-1-enyl]imidazol-1-yl]methoxy]ethyl]silane
PubChem CID10265860
Molecular FormulaC12H21N3O3Si
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Nametrimethyl-[2-[[5-[(E)-2-nitroprop-1-enyl]imidazol-1-yl]methoxy]ethyl]silane
SMILESC/C(=C\c1cncn1COCC[Si](C)(C)C)[N+](=O)[O-]
InChIInChI=1S/C12H21N3O3Si/c1-11(15(16)17)7-12-8-13-9-14(12)10-18-5-6-19(2,3)4/h7-9H,5-6,10H2,1-4H3/b11-7+
InChIKeyYVNILJQBCGWZDI-YRNVUSSQSA-N
XLogP2.83
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 trimethyl-[2-[[5-[(E)-2-nitroprop-1-enyl]imidazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[5-[(E)-2-nitroprop-1-enyl]imidazol-1-yl]methoxy]ethyl]silane (CID 10265860) is trimethyl-[2-[[5-[(E)-2-nitroprop-1-enyl]imidazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[5-[(E)-2-nitroprop-1-enyl]imidazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[5-[(E)-2-nitroprop-1-enyl]imidazol-1-yl]methoxy]ethyl]silane is C/C(=C\c1cncn1COCC[Si](C)(C)C)[N+](=O)[O-].
What is the InChIKey of trimethyl-[2-[[5-[(E)-2-nitroprop-1-enyl]imidazol-1-yl]methoxy]ethyl]silane?
The InChIKey is YVNILJQBCGWZDI-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H21N3O3Si/c1-11(15(16)17)7-12-8-13-9-14(12)10-18-5-6-19(2,3)4/h7-9H,5-6,10H2,1-4H3/b11-7+.
What are the key properties of trimethyl-[2-[[5-[(E)-2-nitroprop-1-enyl]imidazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[5-[(E)-2-nitroprop-1-enyl]imidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 283.40 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[5-[(E)-2-nitroprop-1-enyl]imidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 10265860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).