trimethyl-[1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yloxy]silane

C10H19N3O3Si — CID 71324115

IUPACtrimethyl-[1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yloxy]silane
SMILESCc1ncc([N+](=O)[O-])n1CC(C)O[Si](C)(C)C
InChIInChI=1S/C10H19N3O3Si/c1-8(16-17(3,4)5)7-12-9(2)11-6-10(12)13(14)15/h6,8H,7H2,1-5H3
InChIKeyXLMBABNGMUUPEF-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.34
Rot. Bonds5

About trimethyl-[1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yloxy]silane

trimethyl-[1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yloxy]silane (PubChem CID 71324115) has the molecular formula C10H19N3O3Si and a molecular weight of 257.37 g/mol. Its IUPAC name is trimethyl-[1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yloxy]silane.

Molecular Properties

Compound Nametrimethyl-[1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yloxy]silane
PubChem CID71324115
Molecular FormulaC10H19N3O3Si
Molecular Weight257.37 g/mol
Exact Mass257.12
IUPAC Nametrimethyl-[1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yloxy]silane
SMILESCc1ncc([N+](=O)[O-])n1CC(C)O[Si](C)(C)C
InChIInChI=1S/C10H19N3O3Si/c1-8(16-17(3,4)5)7-12-9(2)11-6-10(12)13(14)15/h6,8H,7H2,1-5H3
InChIKeyXLMBABNGMUUPEF-UHFFFAOYSA-N
XLogP2.34
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 trimethyl-[1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yloxy]silane?
The IUPAC name of trimethyl-[1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yloxy]silane (CID 71324115) is trimethyl-[1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yloxy]silane.
What is the SMILES notation for trimethyl-[1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yloxy]silane?
The canonical SMILES for trimethyl-[1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yloxy]silane is Cc1ncc([N+](=O)[O-])n1CC(C)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yloxy]silane?
The InChIKey is XLMBABNGMUUPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3Si/c1-8(16-17(3,4)5)7-12-9(2)11-6-10(12)13(14)15/h6,8H,7H2,1-5H3.
What are the key properties of trimethyl-[1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yloxy]silane?
trimethyl-[1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yloxy]silane has a molecular weight of 257.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yloxy]silane is sourced from PubChem (CID 71324115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).