(3R,4S,5R)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one

C31H41NO2Si2 — CID 10768172

IUPAC(3R,4S,5R)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one
SMILESC[C@@H]1C(=O)N[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C31H41NO2Si2/c1-24-29(35(5,6)25-16-10-7-11-17-25)28(32-30(24)33)22-23-34-36(31(2,3)4,26-18-12-8-13-19-26)27-20-14-9-15-21-27/h7-21,24,28-29H,22-23H2,1-6H3,(H,32,33)/t24-,28+,29-/m0/s1
InChIKeyRNTQXMJCPPVNIA-DOUMQJFESA-N
MW515.85 g/mol
LogP5.07
Rot. Bonds8

About (3R,4S,5R)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one

(3R,4S,5R)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one (PubChem CID 10768172) has the molecular formula C31H41NO2Si2 and a molecular weight of 515.85 g/mol. Its IUPAC name is (3R,4S,5R)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4S,5R)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one
PubChem CID10768172
Molecular FormulaC31H41NO2Si2
Molecular Weight515.85 g/mol
Exact Mass515.27
IUPAC Name(3R,4S,5R)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one
SMILESC[C@@H]1C(=O)N[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C31H41NO2Si2/c1-24-29(35(5,6)25-16-10-7-11-17-25)28(32-30(24)33)22-23-34-36(31(2,3)4,26-18-12-8-13-19-26)27-20-14-9-15-21-27/h7-21,24,28-29H,22-23H2,1-6H3,(H,32,33)/t24-,28+,29-/m0/s1
InChIKeyRNTQXMJCPPVNIA-DOUMQJFESA-N
XLogP5.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.85
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]pyrrolidin-2-one
CID 45103028
3-[4-(Tert-butyl-diphenyl-silanyloxy)-cyclohexyl]-pyrrolidin-2-one
CID 57658010
5-(Triphenylsilyloxymethyl)pyrrolidin-2-one
CID 139660304
5-[Tris[(4-methylphenyl)methyl]silyloxymethyl]pyrrolidin-2-one
CID 139660328
(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpyrrolidin-2-one
CID 141489122
(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one
CID 151268860
3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one
CID 156857865
4-[4-[Tert-butyl(diphenyl)silyl]oxybutyl]pyrrolidin-2-one
CID 162383982
(1R,4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-2-one
CID 164842633
(1S,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-2-one
CID 164842712
3-[2-Amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one
CID 173970354
(4S,5R)-4-tert-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 176319559

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one?
The IUPAC name of (3R,4S,5R)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one (CID 10768172) is (3R,4S,5R)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one.
What is the SMILES notation for (3R,4S,5R)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one?
The canonical SMILES for (3R,4S,5R)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one is C[C@@H]1C(=O)N[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1[Si](C)(C)c1ccccc1.
What is the InChIKey of (3R,4S,5R)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one?
The InChIKey is RNTQXMJCPPVNIA-DOUMQJFESA-N. The full InChI is InChI=1S/C31H41NO2Si2/c1-24-29(35(5,6)25-16-10-7-11-17-25)28(32-30(24)33)22-23-34-36(31(2,3)4,26-18-12-8-13-19-26)27-20-14-9-15-21-27/h7-21,24,28-29H,22-23H2,1-6H3,(H,32,33)/t24-,28+,29-/m0/s1.
What are the key properties of (3R,4S,5R)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one?
(3R,4S,5R)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one has a molecular weight of 515.85 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one is sourced from PubChem (CID 10768172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).