(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(E)-3-phenylprop-2-enyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one

C29H48N2O3Si — CID 162416172

IUPAC(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(E)-3-phenylprop-2-enyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one
SMILESCC1(C)CCCC(C)(C)N1OC1C[C@@H](CO[Si](C)(C)C(C)(C)C)N(C/C=C/c2ccccc2)C1=O
InChIInChI=1S/C29H48N2O3Si/c1-27(2,3)35(8,9)33-22-24-21-25(34-31-28(4,5)18-14-19-29(31,6)7)26(32)30(24)20-13-17-23-15-11-10-12-16-23/h10-13,15-17,24-25H,14,18-22H2,1-9H3/b17-13+/t24-,25?/m0/s1
InChIKeyQGEDJXLHTDLDSP-RVRAEPSHSA-N
MW500.80 g/mol
LogP6.67
Rot. Bonds8

About (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(E)-3-phenylprop-2-enyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one

(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(E)-3-phenylprop-2-enyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one (PubChem CID 162416172) has the molecular formula C29H48N2O3Si and a molecular weight of 500.80 g/mol. Its IUPAC name is (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(E)-3-phenylprop-2-enyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(E)-3-phenylprop-2-enyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one
PubChem CID162416172
Molecular FormulaC29H48N2O3Si
Molecular Weight500.80 g/mol
Exact Mass500.34
IUPAC Name(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(E)-3-phenylprop-2-enyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one
SMILESCC1(C)CCCC(C)(C)N1OC1C[C@@H](CO[Si](C)(C)C(C)(C)C)N(C/C=C/c2ccccc2)C1=O
InChIInChI=1S/C29H48N2O3Si/c1-27(2,3)35(8,9)33-22-24-21-25(34-31-28(4,5)18-14-19-29(31,6)7)26(32)30(24)20-13-17-23-15-11-10-12-16-23/h10-13,15-17,24-25H,14,18-22H2,1-9H3/b17-13+/t24-,25?/m0/s1
InChIKeyQGEDJXLHTDLDSP-RVRAEPSHSA-N
XLogP6.67
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.80
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(E)-3-phenylprop-2-enyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one with MolForge

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Related Compounds

(5S)-1-benzyl-5-(hydroxymethyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one
CID 132600949
(5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one
CID 132600950
(3R,5S)-1-benzyl-5-(hydroxymethyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one
CID 168330495
(3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one
CID 11371081
1-Benzyl-3,3-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one
CID 101023923
(3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-5-prop-2-enylpyrrolidin-2-one
CID 101212303
(3S,5S)-1-benzyl-5-(hydroxymethyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one
CID 168330494

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(E)-3-phenylprop-2-enyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one?
The IUPAC name of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(E)-3-phenylprop-2-enyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one (CID 162416172) is (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(E)-3-phenylprop-2-enyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(E)-3-phenylprop-2-enyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(E)-3-phenylprop-2-enyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one is CC1(C)CCCC(C)(C)N1OC1C[C@@H](CO[Si](C)(C)C(C)(C)C)N(C/C=C/c2ccccc2)C1=O.
What is the InChIKey of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(E)-3-phenylprop-2-enyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one?
The InChIKey is QGEDJXLHTDLDSP-RVRAEPSHSA-N. The full InChI is InChI=1S/C29H48N2O3Si/c1-27(2,3)35(8,9)33-22-24-21-25(34-31-28(4,5)18-14-19-29(31,6)7)26(32)30(24)20-13-17-23-15-11-10-12-16-23/h10-13,15-17,24-25H,14,18-22H2,1-9H3/b17-13+/t24-,25?/m0/s1.
What are the key properties of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(E)-3-phenylprop-2-enyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one?
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(E)-3-phenylprop-2-enyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one has a molecular weight of 500.80 g/mol, XLogP of 6.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(E)-3-phenylprop-2-enyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one is sourced from PubChem (CID 162416172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).