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

C31H45NO4Si — CID 163246004

IUPACtert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylate
SMILESCC(C)CC1CCC(=O)N(C(=O)OC(C)(C)C)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H45NO4Si/c1-23(2)21-24-19-20-28(33)32(29(34)36-30(3,4)5)27(24)22-35-37(31(6,7)8,25-15-11-9-12-16-25)26-17-13-10-14-18-26/h9-18,23-24,27H,19-22H2,1-8H3
InChIKeyVFBZUYLQBASFQF-UHFFFAOYSA-N
MW523.79 g/mol
LogP6.15
Rot. Bonds7

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

tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylate (PubChem CID 163246004) has the molecular formula C31H45NO4Si and a molecular weight of 523.79 g/mol. Its IUPAC name is tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylate
PubChem CID163246004
Molecular FormulaC31H45NO4Si
Molecular Weight523.79 g/mol
Exact Mass523.31
IUPAC Nametert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylate
SMILESCC(C)CC1CCC(=O)N(C(=O)OC(C)(C)C)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H45NO4Si/c1-23(2)21-24-19-20-28(33)32(29(34)36-30(3,4)5)27(24)22-35-37(31(6,7)8,25-15-11-9-12-16-25)26-17-13-10-14-18-26/h9-18,23-24,27H,19-22H2,1-8H3
InChIKeyVFBZUYLQBASFQF-UHFFFAOYSA-N
XLogP6.15
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.79
LogP ≤ 56.15
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-(2-methylpropyl)-6-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylate (CID 163246004) is tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylate is CC(C)CC1CCC(=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]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylate?
The InChIKey is VFBZUYLQBASFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45NO4Si/c1-23(2)21-24-19-20-28(33)32(29(34)36-30(3,4)5)27(24)22-35-37(31(6,7)8,25-15-11-9-12-16-25)26-17-13-10-14-18-26/h9-18,23-24,27H,19-22H2,1-8H3.
What are the key properties of tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylate?
tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylate has a molecular weight of 523.79 g/mol, XLogP of 6.15, 7 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-(2-methylpropyl)-6-oxopiperidine-1-carboxylate is sourced from PubChem (CID 163246004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).