tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-dimethyl-6-oxopiperidine-1-carboxylate

C29H41NO4Si — CID 163246432

IUPACtert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-dimethyl-6-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CCC(C)(C)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H41NO4Si/c1-27(2,3)34-26(32)30-24(29(7,8)20-19-25(30)31)21-33-35(28(4,5)6,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,24H,19-21H2,1-8H3
InChIKeyZREIXLGSGVQVAU-UHFFFAOYSA-N
MW495.74 g/mol
LogP5.52
Rot. Bonds5

About tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-dimethyl-6-oxopiperidine-1-carboxylate

tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-dimethyl-6-oxopiperidine-1-carboxylate (PubChem CID 163246432) has the molecular formula C29H41NO4Si and a molecular weight of 495.74 g/mol. Its IUPAC name is tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-dimethyl-6-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-dimethyl-6-oxopiperidine-1-carboxylate
PubChem CID163246432
Molecular FormulaC29H41NO4Si
Molecular Weight495.74 g/mol
Exact Mass495.28
IUPAC Nametert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-dimethyl-6-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CCC(C)(C)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H41NO4Si/c1-27(2,3)34-26(32)30-24(29(7,8)20-19-25(30)31)21-33-35(28(4,5)6,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,24H,19-21H2,1-8H3
InChIKeyZREIXLGSGVQVAU-UHFFFAOYSA-N
XLogP5.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.74
LogP ≤ 55.52
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]-3,3-dimethyl-6-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-dimethyl-6-oxopiperidine-1-carboxylate (CID 163246432) is tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-dimethyl-6-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-dimethyl-6-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-dimethyl-6-oxopiperidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)CCC(C)(C)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-dimethyl-6-oxopiperidine-1-carboxylate?
The InChIKey is ZREIXLGSGVQVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41NO4Si/c1-27(2,3)34-26(32)30-24(29(7,8)20-19-25(30)31)21-33-35(28(4,5)6,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,24H,19-21H2,1-8H3.
What are the key properties of tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-dimethyl-6-oxopiperidine-1-carboxylate?
tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-dimethyl-6-oxopiperidine-1-carboxylate has a molecular weight of 495.74 g/mol, XLogP of 5.52, 5 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]-3,3-dimethyl-6-oxopiperidine-1-carboxylate is sourced from PubChem (CID 163246432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).