ethyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propanoate

C17H29NO3Si — CID 58105215

IUPACethyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propanoate
SMILESCCOC(=O)CCc1cccc(CO[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C17H29NO3Si/c1-7-20-16(19)12-11-14-9-8-10-15(18-14)13-21-22(5,6)17(2,3)4/h8-10H,7,11-13H2,1-6H3
InChIKeyZAAFAGJHRBSLQW-UHFFFAOYSA-N
MW323.51 g/mol
LogP4.10
Rot. Bonds7

About ethyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propanoate

ethyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propanoate (PubChem CID 58105215) has the molecular formula C17H29NO3Si and a molecular weight of 323.51 g/mol. Its IUPAC name is ethyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propanoate
PubChem CID58105215
Molecular FormulaC17H29NO3Si
Molecular Weight323.51 g/mol
Exact Mass323.19
IUPAC Nameethyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propanoate
SMILESCCOC(=O)CCc1cccc(CO[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C17H29NO3Si/c1-7-20-16(19)12-11-14-9-8-10-15(18-14)13-21-22(5,6)17(2,3)4/h8-10H,7,11-13H2,1-6H3
InChIKeyZAAFAGJHRBSLQW-UHFFFAOYSA-N
XLogP4.10
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[3-amino-2-[tert-butyl(dimethyl)silyl]oxyphenyl]propanoate
CID 69341260
2-[3-[2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]ethyl]phenyl]ethanamine
CID 69157839
ethyl 2-(aminomethyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carboxylate
CID 131747122
ethyl 3-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]propanoate
CID 103485384
N-tert-butyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridin-2-amine
CID 140891501
ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]propanoate
CID 11304558
ethyl 4-[6-(hydroxymethyl)-2-pyridinyl]-4-methylpentanoate
CID 135255927
4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate
CID 11688619
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
ethyl 3-[4-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-1-benzofuran-7-yl]methoxy]-2,3-dimethylphenyl]propanoate
CID 90417377
ethyl 3-[2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]propanoate
CID 103485505
ethyl 4-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate
CID 24807327

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propanoate?
The IUPAC name of ethyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propanoate (CID 58105215) is ethyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propanoate.
What is the SMILES notation for ethyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propanoate?
The canonical SMILES for ethyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propanoate is CCOC(=O)CCc1cccc(CO[Si](C)(C)C(C)(C)C)n1.
What is the InChIKey of ethyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propanoate?
The InChIKey is ZAAFAGJHRBSLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3Si/c1-7-20-16(19)12-11-14-9-8-10-15(18-14)13-21-22(5,6)17(2,3)4/h8-10H,7,11-13H2,1-6H3.
What are the key properties of ethyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propanoate?
ethyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propanoate has a molecular weight of 323.51 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propanoate is sourced from PubChem (CID 58105215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).