2-[tert-butyl(dimethyl)silyl]oxy-1-(5-chloro-2-pyridinyl)ethanol

C13H22ClNO2Si — CID 164921040

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-1-(5-chloro-2-pyridinyl)ethanol
SMILESCC(C)(C)[Si](C)(C)OCC(O)c1ccc(Cl)cn1
InChIInChI=1S/C13H22ClNO2Si/c1-13(2,3)18(4,5)17-9-12(16)11-7-6-10(14)8-15-11/h6-8,12,16H,9H2,1-5H3
InChIKeyVRIKZFQWXHGWJV-UHFFFAOYSA-N
MW287.86 g/mol
LogP3.79
Rot. Bonds4

About 2-[tert-butyl(dimethyl)silyl]oxy-1-(5-chloro-2-pyridinyl)ethanol

2-[tert-butyl(dimethyl)silyl]oxy-1-(5-chloro-2-pyridinyl)ethanol (PubChem CID 164921040) has the molecular formula C13H22ClNO2Si and a molecular weight of 287.86 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-1-(5-chloro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-1-(5-chloro-2-pyridinyl)ethanol
PubChem CID164921040
Molecular FormulaC13H22ClNO2Si
Molecular Weight287.86 g/mol
Exact Mass287.11
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-1-(5-chloro-2-pyridinyl)ethanol
SMILESCC(C)(C)[Si](C)(C)OCC(O)c1ccc(Cl)cn1
InChIInChI=1S/C13H22ClNO2Si/c1-13(2,3)18(4,5)17-9-12(16)11-7-6-10(14)8-15-11/h6-8,12,16H,9H2,1-5H3
InChIKeyVRIKZFQWXHGWJV-UHFFFAOYSA-N
XLogP3.79
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.86
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-(5-chloro-2-pyridinyl)ethanol?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-(5-chloro-2-pyridinyl)ethanol (CID 164921040) is 2-[tert-butyl(dimethyl)silyl]oxy-1-(5-chloro-2-pyridinyl)ethanol.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-1-(5-chloro-2-pyridinyl)ethanol?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-1-(5-chloro-2-pyridinyl)ethanol is CC(C)(C)[Si](C)(C)OCC(O)c1ccc(Cl)cn1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-1-(5-chloro-2-pyridinyl)ethanol?
The InChIKey is VRIKZFQWXHGWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO2Si/c1-13(2,3)18(4,5)17-9-12(16)11-7-6-10(14)8-15-11/h6-8,12,16H,9H2,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-1-(5-chloro-2-pyridinyl)ethanol?
2-[tert-butyl(dimethyl)silyl]oxy-1-(5-chloro-2-pyridinyl)ethanol has a molecular weight of 287.86 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-1-(5-chloro-2-pyridinyl)ethanol is sourced from PubChem (CID 164921040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).