tert-butyl (6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1-carboxylate

C27H37NO3Si — CID 11155185

IUPACtert-butyl (6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC=C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H37NO3Si/c1-26(2,3)31-25(29)28-20-14-13-15-22(28)21-30-32(27(4,5)6,23-16-9-7-10-17-23)24-18-11-8-12-19-24/h7-13,15-19,22H,14,20-21H2,1-6H3/t22-/m0/s1
InChIKeyHSZXENDJXIXNOL-QFIPXVFZSA-N
MW451.68 g/mol
LogP5.13
Rot. Bonds5

About tert-butyl (6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl (6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 11155185) has the molecular formula C27H37NO3Si and a molecular weight of 451.68 g/mol. Its IUPAC name is tert-butyl (6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID11155185
Molecular FormulaC27H37NO3Si
Molecular Weight451.68 g/mol
Exact Mass451.25
IUPAC Nametert-butyl (6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC=C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H37NO3Si/c1-26(2,3)31-25(29)28-20-14-13-15-22(28)21-30-32(27(4,5)6,23-16-9-7-10-17-23)24-18-11-8-12-19-24/h7-13,15-19,22H,14,20-21H2,1-6H3/t22-/m0/s1
InChIKeyHSZXENDJXIXNOL-QFIPXVFZSA-N
XLogP5.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.68
LogP ≤ 55.13
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl (6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl (6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 11155185) is tert-butyl (6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl (6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl (6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CCC=C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is HSZXENDJXIXNOL-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H37NO3Si/c1-26(2,3)31-25(29)28-20-14-13-15-22(28)21-30-32(27(4,5)6,23-16-9-7-10-17-23)24-18-11-8-12-19-24/h7-13,15-19,22H,14,20-21H2,1-6H3/t22-/m0/s1.
What are the key properties of tert-butyl (6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl (6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 451.68 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 11155185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).