2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloro-2-pyridinyl]propan-2-ol

C15H26ClNO2Si — CID 58001774

IUPAC2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloro-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ncc(CO[Si](C)(C)C(C)(C)C)cc1Cl
InChIInChI=1S/C15H26ClNO2Si/c1-14(2,3)20(6,7)19-10-11-8-12(16)13(17-9-11)15(4,5)18/h8-9,18H,10H2,1-7H3
InChIKeyGLGRGAJRWZSDNG-UHFFFAOYSA-N
MW315.92 g/mol
LogP4.48
Rot. Bonds4

About 2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloro-2-pyridinyl]propan-2-ol

2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloro-2-pyridinyl]propan-2-ol (PubChem CID 58001774) has the molecular formula C15H26ClNO2Si and a molecular weight of 315.92 g/mol. Its IUPAC name is 2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloro-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloro-2-pyridinyl]propan-2-ol
PubChem CID58001774
Molecular FormulaC15H26ClNO2Si
Molecular Weight315.92 g/mol
Exact Mass315.14
IUPAC Name2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloro-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ncc(CO[Si](C)(C)C(C)(C)C)cc1Cl
InChIInChI=1S/C15H26ClNO2Si/c1-14(2,3)20(6,7)19-10-11-8-12(16)13(17-9-11)15(4,5)18/h8-9,18H,10H2,1-7H3
InChIKeyGLGRGAJRWZSDNG-UHFFFAOYSA-N
XLogP4.48
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.92
LogP ≤ 54.48
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-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloro-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloro-2-pyridinyl]propan-2-ol (CID 58001774) is 2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloro-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloro-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloro-2-pyridinyl]propan-2-ol is CC(C)(O)c1ncc(CO[Si](C)(C)C(C)(C)C)cc1Cl.
What is the InChIKey of 2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloro-2-pyridinyl]propan-2-ol?
The InChIKey is GLGRGAJRWZSDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNO2Si/c1-14(2,3)20(6,7)19-10-11-8-12(16)13(17-9-11)15(4,5)18/h8-9,18H,10H2,1-7H3.
What are the key properties of 2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloro-2-pyridinyl]propan-2-ol?
2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloro-2-pyridinyl]propan-2-ol has a molecular weight of 315.92 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloro-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 58001774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).