methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxylate

C16H27NO3Si — CID 11001374

IUPACmethyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H27NO3Si/c1-16(2,3)21(5,6)20-11-7-8-13-9-10-17-12-14(13)15(18)19-4/h9-10,12H,7-8,11H2,1-6H3
InChIKeyNTBOWIGRNHAZJF-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.82
Rot. Bonds6

About methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxylate

methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxylate (PubChem CID 11001374) has the molecular formula C16H27NO3Si and a molecular weight of 309.48 g/mol. Its IUPAC name is methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxylate
PubChem CID11001374
Molecular FormulaC16H27NO3Si
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Namemethyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H27NO3Si/c1-16(2,3)21(5,6)20-11-7-8-13-9-10-17-12-14(13)15(18)19-4/h9-10,12H,7-8,11H2,1-6H3
InChIKeyNTBOWIGRNHAZJF-UHFFFAOYSA-N
XLogP3.82
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxylate?
The IUPAC name of methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxylate (CID 11001374) is methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxylate is COC(=O)c1cnccc1CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxylate?
The InChIKey is NTBOWIGRNHAZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3Si/c1-16(2,3)21(5,6)20-11-7-8-13-9-10-17-12-14(13)15(18)19-4/h9-10,12H,7-8,11H2,1-6H3.
What are the key properties of methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxylate?
methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxylate has a molecular weight of 309.48 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxylate is sourced from PubChem (CID 11001374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).