tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-3-propan-2-ylpiperidine-1-carboxylate

C30H43NO4Si — CID 163246447

IUPACtert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-3-propan-2-ylpiperidine-1-carboxylate
SMILESCC(C)C1CCC(=O)N(C(=O)OC(C)(C)C)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H43NO4Si/c1-22(2)25-19-20-27(32)31(28(33)35-29(3,4)5)26(25)21-34-36(30(6,7)8,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,22,25-26H,19-21H2,1-8H3
InChIKeyYPNLQYRABRWPMD-UHFFFAOYSA-N
MW509.76 g/mol
LogP5.76
Rot. Bonds6

About tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-3-propan-2-ylpiperidine-1-carboxylate

tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-3-propan-2-ylpiperidine-1-carboxylate (PubChem CID 163246447) has the molecular formula C30H43NO4Si and a molecular weight of 509.76 g/mol. Its IUPAC name is tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-3-propan-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-3-propan-2-ylpiperidine-1-carboxylate
PubChem CID163246447
Molecular FormulaC30H43NO4Si
Molecular Weight509.76 g/mol
Exact Mass509.30
IUPAC Nametert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-3-propan-2-ylpiperidine-1-carboxylate
SMILESCC(C)C1CCC(=O)N(C(=O)OC(C)(C)C)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H43NO4Si/c1-22(2)25-19-20-27(32)31(28(33)35-29(3,4)5)26(25)21-34-36(30(6,7)8,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,22,25-26H,19-21H2,1-8H3
InChIKeyYPNLQYRABRWPMD-UHFFFAOYSA-N
XLogP5.76
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.76
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-3-propan-2-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-3-propan-2-ylpiperidine-1-carboxylate (CID 163246447) is tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-3-propan-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-3-propan-2-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-3-propan-2-ylpiperidine-1-carboxylate is CC(C)C1CCC(=O)N(C(=O)OC(C)(C)C)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-3-propan-2-ylpiperidine-1-carboxylate?
The InChIKey is YPNLQYRABRWPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43NO4Si/c1-22(2)25-19-20-27(32)31(28(33)35-29(3,4)5)26(25)21-34-36(30(6,7)8,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,22,25-26H,19-21H2,1-8H3.
What are the key properties of tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-3-propan-2-ylpiperidine-1-carboxylate?
tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-3-propan-2-ylpiperidine-1-carboxylate has a molecular weight of 509.76 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-3-propan-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 163246447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).