tert-butyl-[(4,6-dichloro-3-pyridinyl)methoxy]-dimethylsilane

C12H19Cl2NOSi — CID 131749614

IUPACtert-butyl-[(4,6-dichloro-3-pyridinyl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cnc(Cl)cc1Cl
InChIInChI=1S/C12H19Cl2NOSi/c1-12(2,3)17(4,5)16-8-9-7-15-11(14)6-10(9)13/h6-7H,8H2,1-5H3
InChIKeyDYIRRMCRSFXTPA-UHFFFAOYSA-N
MW292.28 g/mol
LogP4.91
Rot. Bonds3

About tert-butyl-[(4,6-dichloro-3-pyridinyl)methoxy]-dimethylsilane

tert-butyl-[(4,6-dichloro-3-pyridinyl)methoxy]-dimethylsilane (PubChem CID 131749614) has the molecular formula C12H19Cl2NOSi and a molecular weight of 292.28 g/mol. Its IUPAC name is tert-butyl-[(4,6-dichloro-3-pyridinyl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4,6-dichloro-3-pyridinyl)methoxy]-dimethylsilane
PubChem CID131749614
Molecular FormulaC12H19Cl2NOSi
Molecular Weight292.28 g/mol
Exact Mass291.06
IUPAC Nametert-butyl-[(4,6-dichloro-3-pyridinyl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cnc(Cl)cc1Cl
InChIInChI=1S/C12H19Cl2NOSi/c1-12(2,3)17(4,5)16-8-9-7-15-11(14)6-10(9)13/h6-7H,8H2,1-5H3
InChIKeyDYIRRMCRSFXTPA-UHFFFAOYSA-N
XLogP4.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4,6-dichloro-3-pyridinyl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(4,6-dichloro-3-pyridinyl)methoxy]-dimethylsilane (CID 131749614) is tert-butyl-[(4,6-dichloro-3-pyridinyl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4,6-dichloro-3-pyridinyl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(4,6-dichloro-3-pyridinyl)methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1cnc(Cl)cc1Cl.
What is the InChIKey of tert-butyl-[(4,6-dichloro-3-pyridinyl)methoxy]-dimethylsilane?
The InChIKey is DYIRRMCRSFXTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Cl2NOSi/c1-12(2,3)17(4,5)16-8-9-7-15-11(14)6-10(9)13/h6-7H,8H2,1-5H3.
What are the key properties of tert-butyl-[(4,6-dichloro-3-pyridinyl)methoxy]-dimethylsilane?
tert-butyl-[(4,6-dichloro-3-pyridinyl)methoxy]-dimethylsilane has a molecular weight of 292.28 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4,6-dichloro-3-pyridinyl)methoxy]-dimethylsilane is sourced from PubChem (CID 131749614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).