tert-butyl (2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-pyridine-1-carboxylate

C18H35NO3Si — CID 134842895

IUPACtert-butyl (2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CCC=CN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H35NO3Si/c1-14(22-23(8,9)18(5,6)7)15-12-10-11-13-19(15)16(20)21-17(2,3)4/h11,13-15H,10,12H2,1-9H3/t14-,15+/m0/s1
InChIKeyKVXLXURSMFSJEQ-LSDHHAIUSA-N
MW341.57 g/mol
LogP5.31
Rot. Bonds3

About tert-butyl (2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-pyridine-1-carboxylate

tert-butyl (2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 134842895) has the molecular formula C18H35NO3Si and a molecular weight of 341.57 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID134842895
Molecular FormulaC18H35NO3Si
Molecular Weight341.57 g/mol
Exact Mass341.24
IUPAC Nametert-butyl (2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CCC=CN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H35NO3Si/c1-14(22-23(8,9)18(5,6)7)15-12-10-11-13-19(15)16(20)21-17(2,3)4/h11,13-15H,10,12H2,1-9H3/t14-,15+/m0/s1
InChIKeyKVXLXURSMFSJEQ-LSDHHAIUSA-N
XLogP5.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.57
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 66545572
tert-butyl (4R)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dioxooxathiazolidine-3-carboxylate
CID 170585072
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate
CID 10852705
tert-butyl (2S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 167528401
ditert-butyl 2,3-dihydropyrrole-1,2-dicarboxylate
CID 76804679
tert-butyl 2-acetyl-2,3-dihydropyrrole-1-carboxylate
CID 118329389
tert-butyl (2S)-2-acetyl-2,3-dihydropyrrole-1-carboxylate
CID 171048922
ditert-butyl (2S)-2,3-dihydropyrrole-1,2-dicarboxylate
CID 11173242
tert-butyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate
CID 11372630
tert-butyl (2R,7R,8S)-8-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-9-oxo-1-azabicyclo[5.2.0]non-4-ene-2-carboxylate
CID 102461192
3-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridine-2-carbonyl]amino]ethyldisulfanyl]propanoic acid
CID 166424929
tert-butyl-(1-cyclopropylethoxy)-dimethylsilane
CID 22391705

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-pyridine-1-carboxylate (CID 134842895) is tert-butyl (2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-pyridine-1-carboxylate is C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CCC=CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is KVXLXURSMFSJEQ-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H35NO3Si/c1-14(22-23(8,9)18(5,6)7)15-12-10-11-13-19(15)16(20)21-17(2,3)4/h11,13-15H,10,12H2,1-9H3/t14-,15+/m0/s1.
What are the key properties of tert-butyl (2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
tert-butyl (2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 341.57 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 134842895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).