tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxopiperidine-1-carboxylate

C27H37NO4Si — CID 11730345

IUPACtert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CCC[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H37NO4Si/c1-26(2,3)32-25(30)28-21(14-13-19-24(28)29)20-31-33(27(4,5)6,22-15-9-7-10-16-22)23-17-11-8-12-18-23/h7-12,15-18,21H,13-14,19-20H2,1-6H3/t21-/m1/s1
InChIKeyCELUWWRCTQGPGZ-OAQYLSRUSA-N
MW467.68 g/mol
LogP4.88
Rot. Bonds5

About tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxopiperidine-1-carboxylate

tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxopiperidine-1-carboxylate (PubChem CID 11730345) has the molecular formula C27H37NO4Si and a molecular weight of 467.68 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxopiperidine-1-carboxylate
PubChem CID11730345
Molecular FormulaC27H37NO4Si
Molecular Weight467.68 g/mol
Exact Mass467.25
IUPAC Nametert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CCC[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H37NO4Si/c1-26(2,3)32-25(30)28-21(14-13-19-24(28)29)20-31-33(27(4,5)6,22-15-9-7-10-16-22)23-17-11-8-12-18-23/h7-12,15-18,21H,13-14,19-20H2,1-6H3/t21-/m1/s1
InChIKeyCELUWWRCTQGPGZ-OAQYLSRUSA-N
XLogP4.88
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.68
LogP ≤ 54.88
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

(S)-tert-Butyl 2-(((tert-butyldiphenylsilyl)oxy)methyl)-5-oxopyrrolidine-1-carboxylate
CID 11762195
(6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one
CID 11682145
tert-Butyl (R)-2-(((tert-butyldiphenylsilyl)oxy)methyl)-5-oxopyrrolidine-1-carboxylate
CID 11826537
[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-fluoro-6-oxohexan-2-yl]-(3-methylbutyl)carbamic acid
CID 173777291
tert-butyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-5-oxopyrrolidine-1-carboxylate
CID 21681573
tert-butyl (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-4-prop-2-enylpiperidine-1-carboxylate
CID 11179706
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-3-(trideuteriomethyl)pyrrolidine-1-carboxylate
CID 11465570
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxy)piperidine-1-carboxylate
CID 134835662
tert-butyl (2S)-2-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]-5-oxopyrrolidine-1-carboxylate
CID 135013944
Methyl 7-[tert-butyl(diphenyl)silyl]oxy-6-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoate
CID 135070431
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(3-oxobutyl)-2,3-dihydropyrrole-1-carboxylate
CID 10929279
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypiperidine-1-carboxylate
CID 11431341

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxopiperidine-1-carboxylate (CID 11730345) is tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxopiperidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)CCC[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxopiperidine-1-carboxylate?
The InChIKey is CELUWWRCTQGPGZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H37NO4Si/c1-26(2,3)32-25(30)28-21(14-13-19-24(28)29)20-31-33(27(4,5)6,22-15-9-7-10-16-22)23-17-11-8-12-18-23/h7-12,15-18,21H,13-14,19-20H2,1-6H3/t21-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxopiperidine-1-carboxylate?
tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxopiperidine-1-carboxylate has a molecular weight of 467.68 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxopiperidine-1-carboxylate is sourced from PubChem (CID 11730345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).