tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-2-oxopyrrolidine-1-carboxylate

C18H35NO4Si — CID 66622874

IUPACtert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C(C)(C)CC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35NO4Si/c1-16(2,3)23-15(21)19-13(11-18(7,8)14(19)20)12-22-24(9,10)17(4,5)6/h13H,11-12H2,1-10H3
InChIKeyOUTKFGFODNYEDD-UHFFFAOYSA-N
MW357.57 g/mol
LogP4.57
Rot. Bonds3

About tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-2-oxopyrrolidine-1-carboxylate

tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-2-oxopyrrolidine-1-carboxylate (PubChem CID 66622874) has the molecular formula C18H35NO4Si and a molecular weight of 357.57 g/mol. Its IUPAC name is tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-2-oxopyrrolidine-1-carboxylate
PubChem CID66622874
Molecular FormulaC18H35NO4Si
Molecular Weight357.57 g/mol
Exact Mass357.23
IUPAC Nametert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C(C)(C)CC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35NO4Si/c1-16(2,3)23-15(21)19-13(11-18(7,8)14(19)20)12-22-24(9,10)17(4,5)6/h13H,11-12H2,1-10H3
InChIKeyOUTKFGFODNYEDD-UHFFFAOYSA-N
XLogP4.57
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.57
LogP ≤ 54.57
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 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-2-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-2-oxopyrrolidine-1-carboxylate (CID 66622874) is tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-2-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)C(C)(C)CC1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-2-oxopyrrolidine-1-carboxylate?
The InChIKey is OUTKFGFODNYEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO4Si/c1-16(2,3)23-15(21)19-13(11-18(7,8)14(19)20)12-22-24(9,10)17(4,5)6/h13H,11-12H2,1-10H3.
What are the key properties of tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-2-oxopyrrolidine-1-carboxylate?
tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-2-oxopyrrolidine-1-carboxylate has a molecular weight of 357.57 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 66622874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).