tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate

C26H35NO4Si — CID 131747984

IUPACtert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1=O
InChIInChI=1S/C26H35NO4Si/c1-25(2,3)30-24(29)27-18-17-20(19-23(27)28)31-32(26(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20H,17-19H2,1-6H3
InChIKeyBVLGPMGQBITIJE-UHFFFAOYSA-N
MW453.66 g/mol
LogP4.49
Rot. Bonds4

About tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate

tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate (PubChem CID 131747984) has the molecular formula C26H35NO4Si and a molecular weight of 453.66 g/mol. Its IUPAC name is tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate
PubChem CID131747984
Molecular FormulaC26H35NO4Si
Molecular Weight453.66 g/mol
Exact Mass453.23
IUPAC Nametert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1=O
InChIInChI=1S/C26H35NO4Si/c1-25(2,3)30-24(29)27-18-17-20(19-23(27)28)31-32(26(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20H,17-19H2,1-6H3
InChIKeyBVLGPMGQBITIJE-UHFFFAOYSA-N
XLogP4.49
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.66
LogP ≤ 54.49
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 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate (CID 131747984) is tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1=O.
What is the InChIKey of tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate?
The InChIKey is BVLGPMGQBITIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO4Si/c1-25(2,3)30-24(29)27-18-17-20(19-23(27)28)31-32(26(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20H,17-19H2,1-6H3.
What are the key properties of tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate?
tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate has a molecular weight of 453.66 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate is sourced from PubChem (CID 131747984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).