2-[6-[[butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propan-2-ol

C15H27NO2Si — CID 67181868

IUPAC2-[6-[[butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propan-2-ol
SMILESCCCC[Si](C)(C)OCc1cccc(C(C)(C)O)n1
InChIInChI=1S/C15H27NO2Si/c1-6-7-11-19(4,5)18-12-13-9-8-10-14(16-13)15(2,3)17/h8-10,17H,6-7,11-12H2,1-5H3
InChIKeyLJXOTTFTUNEMBF-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.83
Rot. Bonds7

About 2-[6-[[butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propan-2-ol

2-[6-[[butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propan-2-ol (PubChem CID 67181868) has the molecular formula C15H27NO2Si and a molecular weight of 281.47 g/mol. Its IUPAC name is 2-[6-[[butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[[butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propan-2-ol
PubChem CID67181868
Molecular FormulaC15H27NO2Si
Molecular Weight281.47 g/mol
Exact Mass281.18
IUPAC Name2-[6-[[butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propan-2-ol
SMILESCCCC[Si](C)(C)OCc1cccc(C(C)(C)O)n1
InChIInChI=1S/C15H27NO2Si/c1-6-7-11-19(4,5)18-12-13-9-8-10-14(16-13)15(2,3)17/h8-10,17H,6-7,11-12H2,1-5H3
InChIKeyLJXOTTFTUNEMBF-UHFFFAOYSA-N
XLogP3.83
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.83
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-[6-[[butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-[[butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propan-2-ol (CID 67181868) is 2-[6-[[butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-[[butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-[[butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propan-2-ol is CCCC[Si](C)(C)OCc1cccc(C(C)(C)O)n1.
What is the InChIKey of 2-[6-[[butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propan-2-ol?
The InChIKey is LJXOTTFTUNEMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2Si/c1-6-7-11-19(4,5)18-12-13-9-8-10-14(16-13)15(2,3)17/h8-10,17H,6-7,11-12H2,1-5H3.
What are the key properties of 2-[6-[[butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propan-2-ol?
2-[6-[[butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propan-2-ol has a molecular weight of 281.47 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 67181868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).