tert-butyl 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate

C17H33NO4Si — CID 18933235

IUPACtert-butyl 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1C(=O)CCC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33NO4Si/c1-16(2,3)22-15(20)11-18-13(9-10-14(18)19)12-21-23(7,8)17(4,5)6/h13H,9-12H2,1-8H3
InChIKeyGAMOQSIQGYZQPW-UHFFFAOYSA-N
MW343.54 g/mol
LogP3.34
Rot. Bonds5

About tert-butyl 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate

tert-butyl 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate (PubChem CID 18933235) has the molecular formula C17H33NO4Si and a molecular weight of 343.54 g/mol. Its IUPAC name is tert-butyl 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate
PubChem CID18933235
Molecular FormulaC17H33NO4Si
Molecular Weight343.54 g/mol
Exact Mass343.22
IUPAC Nametert-butyl 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1C(=O)CCC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33NO4Si/c1-16(2,3)22-15(20)11-18-13(9-10-14(18)19)12-21-23(7,8)17(4,5)6/h13H,9-12H2,1-8H3
InChIKeyGAMOQSIQGYZQPW-UHFFFAOYSA-N
XLogP3.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 53.34
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-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate (CID 18933235) is tert-butyl 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate is CC(C)(C)OC(=O)CN1C(=O)CCC1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate?
The InChIKey is GAMOQSIQGYZQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO4Si/c1-16(2,3)22-15(20)11-18-13(9-10-14(18)19)12-21-23(7,8)17(4,5)6/h13H,9-12H2,1-8H3.
What are the key properties of tert-butyl 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate?
tert-butyl 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate has a molecular weight of 343.54 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate is sourced from PubChem (CID 18933235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).