tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxypyrrolidine-1-carboxylate

C27H39NO4Si — CID 67154765

IUPACtert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxypyrrolidine-1-carboxylate
SMILESCOC1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C27H39NO4Si/c1-26(2,3)32-25(29)28-21(18-19-24(28)30-7)20-31-33(27(4,5)6,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,21,24H,18-20H2,1-7H3
InChIKeyPKWYTGITAUXGAK-UHFFFAOYSA-N
MW469.70 g/mol
LogP4.93
Rot. Bonds6

About tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxypyrrolidine-1-carboxylate

tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxypyrrolidine-1-carboxylate (PubChem CID 67154765) has the molecular formula C27H39NO4Si and a molecular weight of 469.70 g/mol. Its IUPAC name is tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxypyrrolidine-1-carboxylate
PubChem CID67154765
Molecular FormulaC27H39NO4Si
Molecular Weight469.70 g/mol
Exact Mass469.26
IUPAC Nametert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxypyrrolidine-1-carboxylate
SMILESCOC1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C27H39NO4Si/c1-26(2,3)32-25(29)28-21(18-19-24(28)30-7)20-31-33(27(4,5)6,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,21,24H,18-20H2,1-7H3
InChIKeyPKWYTGITAUXGAK-UHFFFAOYSA-N
XLogP4.93
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.70
LogP ≤ 54.93
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]-5-methoxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxypyrrolidine-1-carboxylate (CID 67154765) is tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxypyrrolidine-1-carboxylate is COC1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxypyrrolidine-1-carboxylate?
The InChIKey is PKWYTGITAUXGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39NO4Si/c1-26(2,3)32-25(29)28-21(18-19-24(28)30-7)20-31-33(27(4,5)6,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,21,24H,18-20H2,1-7H3.
What are the key properties of tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxypyrrolidine-1-carboxylate?
tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxypyrrolidine-1-carboxylate has a molecular weight of 469.70 g/mol, XLogP of 4.93, 6 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]-5-methoxypyrrolidine-1-carboxylate is sourced from PubChem (CID 67154765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).