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

C27H37NO4Si — CID 170726910

IUPACtert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(=O)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H37NO4Si/c1-26(2,3)32-25(30)28-19-13-18-24(29)23(28)20-31-33(27(4,5)6,21-14-9-7-10-15-21)22-16-11-8-12-17-22/h7-12,14-17,23H,13,18-20H2,1-6H3/t23-/m1/s1
InChIKeyOULHHADPEZZZRZ-HSZRJFAPSA-N
MW467.68 g/mol
LogP4.53
Rot. Bonds5

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

tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopiperidine-1-carboxylate (PubChem CID 170726910) has the molecular formula C27H37NO4Si and a molecular weight of 467.68 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopiperidine-1-carboxylate
PubChem CID170726910
Molecular FormulaC27H37NO4Si
Molecular Weight467.68 g/mol
Exact Mass467.25
IUPAC Nametert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(=O)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H37NO4Si/c1-26(2,3)32-25(30)28-19-13-18-24(29)23(28)20-31-33(27(4,5)6,21-14-9-7-10-15-21)22-16-11-8-12-17-22/h7-12,14-17,23H,13,18-20H2,1-6H3/t23-/m1/s1
InChIKeyOULHHADPEZZZRZ-HSZRJFAPSA-N
XLogP4.53
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.68
LogP ≤ 54.53
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 (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopiperidine-1-carboxylate (CID 170726910) is tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(=O)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopiperidine-1-carboxylate?
The InChIKey is OULHHADPEZZZRZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H37NO4Si/c1-26(2,3)32-25(30)28-19-13-18-24(29)23(28)20-31-33(27(4,5)6,21-14-9-7-10-15-21)22-16-11-8-12-17-22/h7-12,14-17,23H,13,18-20H2,1-6H3/t23-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopiperidine-1-carboxylate?
tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopiperidine-1-carboxylate has a molecular weight of 467.68 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopiperidine-1-carboxylate is sourced from PubChem (CID 170726910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).