methyl 1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate

C29H35NO3Si — CID 150506658

IUPACmethyl 1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1Cc1ccccc1
InChIInChI=1S/C29H35NO3Si/c1-29(2,3)34(25-16-10-6-11-17-25,26-18-12-7-13-19-26)33-24-20-27(28(31)32-4)30(22-24)21-23-14-8-5-9-15-23/h5-19,24,27H,20-22H2,1-4H3
InChIKeyHYYQMGLEIHKXFJ-UHFFFAOYSA-N
MW473.69 g/mol
LogP4.38
Rot. Bonds7

About methyl 1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate

methyl 1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate (PubChem CID 150506658) has the molecular formula C29H35NO3Si and a molecular weight of 473.69 g/mol. Its IUPAC name is methyl 1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate
PubChem CID150506658
Molecular FormulaC29H35NO3Si
Molecular Weight473.69 g/mol
Exact Mass473.24
IUPAC Namemethyl 1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1Cc1ccccc1
InChIInChI=1S/C29H35NO3Si/c1-29(2,3)34(25-16-10-6-11-17-25,26-18-12-7-13-19-26)33-24-20-27(28(31)32-4)30(22-24)21-23-14-8-5-9-15-23/h5-19,24,27H,20-22H2,1-4H3
InChIKeyHYYQMGLEIHKXFJ-UHFFFAOYSA-N
XLogP4.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.69
LogP ≤ 54.38
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 methyl 1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate (CID 150506658) is methyl 1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate is COC(=O)C1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1Cc1ccccc1.
What is the InChIKey of methyl 1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate?
The InChIKey is HYYQMGLEIHKXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO3Si/c1-29(2,3)34(25-16-10-6-11-17-25,26-18-12-7-13-19-26)33-24-20-27(28(31)32-4)30(22-24)21-23-14-8-5-9-15-23/h5-19,24,27H,20-22H2,1-4H3.
What are the key properties of methyl 1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate?
methyl 1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate has a molecular weight of 473.69 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate is sourced from PubChem (CID 150506658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).