tert-butyl 6-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate

C13H25NO3Si — CID 153326433

IUPACtert-butyl 6-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC=CC1O[Si](C)(C)C
InChIInChI=1S/C13H25NO3Si/c1-13(2,3)16-12(15)14-10-8-7-9-11(14)17-18(4,5)6/h7,9,11H,8,10H2,1-6H3
InChIKeyYPKKSIJHWDBOSX-UHFFFAOYSA-N
MW271.43 g/mol
LogP3.36
Rot. Bonds2

About tert-butyl 6-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 6-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 153326433) has the molecular formula C13H25NO3Si and a molecular weight of 271.43 g/mol. Its IUPAC name is tert-butyl 6-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID153326433
Molecular FormulaC13H25NO3Si
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Nametert-butyl 6-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC=CC1O[Si](C)(C)C
InChIInChI=1S/C13H25NO3Si/c1-13(2,3)16-12(15)14-10-8-7-9-11(14)17-18(4,5)6/h7,9,11H,8,10H2,1-6H3
InChIKeyYPKKSIJHWDBOSX-UHFFFAOYSA-N
XLogP3.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 14868063
tert-butyl (6S)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 162761492
tert-butyl 6-aminosulfanyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 151672294
tert-butyl 6-(5-acetylpyrimidin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 154635745
tert-butyl (3R)-2-trimethylsilyl-3-trimethylsilyloxypyrrolidine-1-carboxylate
CID 10947531
tert-butyl 3-amino-2,3,6,7-tetrahydroazepine-1-carboxylate
CID 175203709
tert-butyl (6S)-6-(4-methoxycarbonylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 163661065
ditert-butyl 6-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b]pyrazine-1,4-dicarboxylate
CID 22609586
tert-butyl 2-(hydroxymethyl)-4-trimethylsilyloxypyrrolidine-1-carboxylate
CID 139708119
tert-butyl (6S)-5,6-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 154953281
tert-butyl (2S,3R)-3-hydroxy-2-methylazetidine-1-carboxylate
CID 99770590
tert-butyl (2S)-2-tert-butyl-3-hydroxypyrrolidine-1-carboxylate
CID 141408169

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 6-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate (CID 153326433) is tert-butyl 6-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 6-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 6-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CCC=CC1O[Si](C)(C)C.
What is the InChIKey of tert-butyl 6-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is YPKKSIJHWDBOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3Si/c1-13(2,3)16-12(15)14-10-8-7-9-11(14)17-18(4,5)6/h7,9,11H,8,10H2,1-6H3.
What are the key properties of tert-butyl 6-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 6-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 271.43 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 153326433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).