tert-butyl (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-4-prop-2-enylpiperidine-1-carboxylate

C30H41NO4Si — CID 11179706

IUPACtert-butyl (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-4-prop-2-enylpiperidine-1-carboxylate
SMILESC=CC[C@H]1CC(=O)N(C(=O)OC(C)(C)C)C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H41NO4Si/c1-8-15-23-20-27(32)31(28(33)35-29(2,3)4)21-24(23)22-34-36(30(5,6)7,25-16-11-9-12-17-25)26-18-13-10-14-19-26/h8-14,16-19,23-24H,1,15,20-22H2,2-7H3/t23-,24+/m0/s1
InChIKeyYYWMLXILOPBZPJ-BJKOFHAPSA-N
MW507.75 g/mol
LogP5.54
Rot. Bonds7

About tert-butyl (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-4-prop-2-enylpiperidine-1-carboxylate

tert-butyl (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-4-prop-2-enylpiperidine-1-carboxylate (PubChem CID 11179706) has the molecular formula C30H41NO4Si and a molecular weight of 507.75 g/mol. Its IUPAC name is tert-butyl (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-4-prop-2-enylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-4-prop-2-enylpiperidine-1-carboxylate
PubChem CID11179706
Molecular FormulaC30H41NO4Si
Molecular Weight507.75 g/mol
Exact Mass507.28
IUPAC Nametert-butyl (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-4-prop-2-enylpiperidine-1-carboxylate
SMILESC=CC[C@H]1CC(=O)N(C(=O)OC(C)(C)C)C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H41NO4Si/c1-8-15-23-20-27(32)31(28(33)35-29(2,3)4)21-24(23)22-34-36(30(5,6)7,25-16-11-9-12-17-25)26-18-13-10-14-19-26/h8-14,16-19,23-24H,1,15,20-22H2,2-7H3/t23-,24+/m0/s1
InChIKeyYYWMLXILOPBZPJ-BJKOFHAPSA-N
XLogP5.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.75
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-4-prop-2-enylpiperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(fluoromethyl)-5-oxopyrrolidine-1-carboxylate
CID 12111284
Tert-butyl 4-(2-{[tert-butyldiphenylsilyl]oxy}ethyl)-4-fluoro-1-piperidinecarboxylate
CID 21096977
Tert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluoropiperidine-1-carboxylate
CID 177777799
tert-butyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-5-oxopyrrolidine-1-carboxylate
CID 21681573
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-methyl-5-oxopyrrolidine-1-carboxylate
CID 10950738
tert-butyl (2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-5-oxopyrrolidine-1-carboxylate
CID 11577087
tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxopiperidine-1-carboxylate
CID 11730345
tert-Butyl 4-(2-{[tert-butyldiphenylsilyl]oxy}ethyl)-4-hydroxy-1-piperidine-carboxylate
CID 21096980
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-3-prop-2-enylpyrrolidine-1-carboxylate
CID 21681574
(3R,5S)-1-t-butoxycarbonyl-5-t-butyldiphenylsiloxymethyl-3-methyl-pyrrolidine-2-one
CID 57437936
tert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate
CID 58011500

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-4-prop-2-enylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-4-prop-2-enylpiperidine-1-carboxylate (CID 11179706) is tert-butyl (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-4-prop-2-enylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-4-prop-2-enylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-4-prop-2-enylpiperidine-1-carboxylate is C=CC[C@H]1CC(=O)N(C(=O)OC(C)(C)C)C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-4-prop-2-enylpiperidine-1-carboxylate?
The InChIKey is YYWMLXILOPBZPJ-BJKOFHAPSA-N. The full InChI is InChI=1S/C30H41NO4Si/c1-8-15-23-20-27(32)31(28(33)35-29(2,3)4)21-24(23)22-34-36(30(5,6)7,25-16-11-9-12-17-25)26-18-13-10-14-19-26/h8-14,16-19,23-24H,1,15,20-22H2,2-7H3/t23-,24+/m0/s1.
What are the key properties of tert-butyl (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-4-prop-2-enylpiperidine-1-carboxylate?
tert-butyl (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-4-prop-2-enylpiperidine-1-carboxylate has a molecular weight of 507.75 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-4-prop-2-enylpiperidine-1-carboxylate is sourced from PubChem (CID 11179706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).