(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2,2-dimethylpropanoyl)-3,3-dimethylpyrrolidin-2-one

C18H35NO3Si — CID 54177942

IUPAC(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2,2-dimethylpropanoyl)-3,3-dimethylpyrrolidin-2-one
SMILESCC(C)(C)C(=O)N1C(=O)C(C)(C)C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35NO3Si/c1-16(2,3)14(20)19-13(11-18(7,8)15(19)21)12-22-23(9,10)17(4,5)6/h13H,11-12H2,1-10H3/t13-/m0/s1
InChIKeyOZTHBZSPIOXREF-ZDUSSCGKSA-N
MW341.57 g/mol
LogP4.21
Rot. Bonds3

About (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2,2-dimethylpropanoyl)-3,3-dimethylpyrrolidin-2-one

(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2,2-dimethylpropanoyl)-3,3-dimethylpyrrolidin-2-one (PubChem CID 54177942) has the molecular formula C18H35NO3Si and a molecular weight of 341.57 g/mol. Its IUPAC name is (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2,2-dimethylpropanoyl)-3,3-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2,2-dimethylpropanoyl)-3,3-dimethylpyrrolidin-2-one
PubChem CID54177942
Molecular FormulaC18H35NO3Si
Molecular Weight341.57 g/mol
Exact Mass341.24
IUPAC Name(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2,2-dimethylpropanoyl)-3,3-dimethylpyrrolidin-2-one
SMILESCC(C)(C)C(=O)N1C(=O)C(C)(C)C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35NO3Si/c1-16(2,3)14(20)19-13(11-18(7,8)15(19)21)12-22-23(9,10)17(4,5)6/h13H,11-12H2,1-10H3/t13-/m0/s1
InChIKeyOZTHBZSPIOXREF-ZDUSSCGKSA-N
XLogP4.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.57
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2,2-dimethylpropanoyl)-3,3-dimethylpyrrolidin-2-one?
The IUPAC name of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2,2-dimethylpropanoyl)-3,3-dimethylpyrrolidin-2-one (CID 54177942) is (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2,2-dimethylpropanoyl)-3,3-dimethylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2,2-dimethylpropanoyl)-3,3-dimethylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2,2-dimethylpropanoyl)-3,3-dimethylpyrrolidin-2-one is CC(C)(C)C(=O)N1C(=O)C(C)(C)C[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2,2-dimethylpropanoyl)-3,3-dimethylpyrrolidin-2-one?
The InChIKey is OZTHBZSPIOXREF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H35NO3Si/c1-16(2,3)14(20)19-13(11-18(7,8)15(19)21)12-22-23(9,10)17(4,5)6/h13H,11-12H2,1-10H3/t13-/m0/s1.
What are the key properties of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2,2-dimethylpropanoyl)-3,3-dimethylpyrrolidin-2-one?
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2,2-dimethylpropanoyl)-3,3-dimethylpyrrolidin-2-one has a molecular weight of 341.57 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2,2-dimethylpropanoyl)-3,3-dimethylpyrrolidin-2-one is sourced from PubChem (CID 54177942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).