tert-butyl-[2-(2-methyl-1-oxidopyridin-1-ium-4-yl)propan-2-yloxy]silane

C13H23NO2Si — CID 131729430

IUPACtert-butyl-[2-(2-methyl-1-oxidopyridin-1-ium-4-yl)propan-2-yloxy]silane
SMILESCc1cc(C(C)(C)O[SiH2]C(C)(C)C)cc[n+]1[O-]
InChIInChI=1S/C13H23NO2Si/c1-10-9-11(7-8-14(10)15)13(5,6)16-17-12(2,3)4/h7-9H,17H2,1-6H3
InChIKeyMGCAHAPJEMCFRI-UHFFFAOYSA-N
MW253.42 g/mol
LogP2.18
Rot. Bonds3

About tert-butyl-[2-(2-methyl-1-oxidopyridin-1-ium-4-yl)propan-2-yloxy]silane

tert-butyl-[2-(2-methyl-1-oxidopyridin-1-ium-4-yl)propan-2-yloxy]silane (PubChem CID 131729430) has the molecular formula C13H23NO2Si and a molecular weight of 253.42 g/mol. Its IUPAC name is tert-butyl-[2-(2-methyl-1-oxidopyridin-1-ium-4-yl)propan-2-yloxy]silane.

Molecular Properties

Compound Nametert-butyl-[2-(2-methyl-1-oxidopyridin-1-ium-4-yl)propan-2-yloxy]silane
PubChem CID131729430
Molecular FormulaC13H23NO2Si
Molecular Weight253.42 g/mol
Exact Mass253.15
IUPAC Nametert-butyl-[2-(2-methyl-1-oxidopyridin-1-ium-4-yl)propan-2-yloxy]silane
SMILESCc1cc(C(C)(C)O[SiH2]C(C)(C)C)cc[n+]1[O-]
InChIInChI=1S/C13H23NO2Si/c1-10-9-11(7-8-14(10)15)13(5,6)16-17-12(2,3)4/h7-9H,17H2,1-6H3
InChIKeyMGCAHAPJEMCFRI-UHFFFAOYSA-N
XLogP2.18
TPSA36.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.42
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(2-methyl-1-oxidopyridin-1-ium-4-yl)propan-2-yloxy]silane?
The IUPAC name of tert-butyl-[2-(2-methyl-1-oxidopyridin-1-ium-4-yl)propan-2-yloxy]silane (CID 131729430) is tert-butyl-[2-(2-methyl-1-oxidopyridin-1-ium-4-yl)propan-2-yloxy]silane.
What is the SMILES notation for tert-butyl-[2-(2-methyl-1-oxidopyridin-1-ium-4-yl)propan-2-yloxy]silane?
The canonical SMILES for tert-butyl-[2-(2-methyl-1-oxidopyridin-1-ium-4-yl)propan-2-yloxy]silane is Cc1cc(C(C)(C)O[SiH2]C(C)(C)C)cc[n+]1[O-].
What is the InChIKey of tert-butyl-[2-(2-methyl-1-oxidopyridin-1-ium-4-yl)propan-2-yloxy]silane?
The InChIKey is MGCAHAPJEMCFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2Si/c1-10-9-11(7-8-14(10)15)13(5,6)16-17-12(2,3)4/h7-9H,17H2,1-6H3.
What are the key properties of tert-butyl-[2-(2-methyl-1-oxidopyridin-1-ium-4-yl)propan-2-yloxy]silane?
tert-butyl-[2-(2-methyl-1-oxidopyridin-1-ium-4-yl)propan-2-yloxy]silane has a molecular weight of 253.42 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(2-methyl-1-oxidopyridin-1-ium-4-yl)propan-2-yloxy]silane is sourced from PubChem (CID 131729430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).