(3S,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidine-2,5-dione

C36H39NO5Si — CID 102282449

IUPAC(3S,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidine-2,5-dione
SMILESCOc1ccc(CN2C(=O)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](OCc3ccccc3)C2=O)cc1
InChIInChI=1S/C36H39NO5Si/c1-36(2,3)43(30-16-10-6-11-17-30,31-18-12-7-13-19-31)42-26-32-33(41-25-28-14-8-5-9-15-28)35(39)37(34(32)38)24-27-20-22-29(40-4)23-21-27/h5-23,32-33H,24-26H2,1-4H3/t32-,33-/m0/s1
InChIKeyHDFASHLADMTIQB-LQJZCPKCSA-N
MW593.80 g/mol
LogP5.34
Rot. Bonds11

About (3S,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidine-2,5-dione

(3S,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidine-2,5-dione (PubChem CID 102282449) has the molecular formula C36H39NO5Si and a molecular weight of 593.80 g/mol. Its IUPAC name is (3S,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidine-2,5-dione
PubChem CID102282449
Molecular FormulaC36H39NO5Si
Molecular Weight593.80 g/mol
Exact Mass593.26
IUPAC Name(3S,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidine-2,5-dione
SMILESCOc1ccc(CN2C(=O)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](OCc3ccccc3)C2=O)cc1
InChIInChI=1S/C36H39NO5Si/c1-36(2,3)43(30-16-10-6-11-17-30,31-18-12-7-13-19-31)42-26-32-33(41-25-28-14-8-5-9-15-28)35(39)37(34(32)38)24-27-20-22-29(40-4)23-21-27/h5-23,32-33H,24-26H2,1-4H3/t32-,33-/m0/s1
InChIKeyHDFASHLADMTIQB-LQJZCPKCSA-N
XLogP5.34
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.80
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 23254557
(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-one
CID 140966529
2-[(1R,2S,5R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-[(4-methoxyphenyl)methoxy]cyclopent-3-en-1-yl]acetaldehyde
CID 101412798
(3R)-5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-methylpentan-2-one
CID 11179358
[(3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(4-methoxyphenyl)methoxy]-5,6-dimethyloxan-3-yl] acetate;iodomethane
CID 91531895
[(2R,3S,4R,5R)-5-azido-6-fluoro-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 11802442
(3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione
CID 11102405
methyl (1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(4-methoxyphenyl)methoxy]cyclopent-3-ene-1-carboxylate
CID 102211154
(5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxypiperidin-2-one
CID 101261245
(3S,4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-3-phenylmethoxyhexan-2-one
CID 11753665
(3S,4S)-5-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-one
CID 24767024
(2R,3R)-1-(4-methoxyphenyl)-4-oxo-3-phenylmethoxyazetidine-2-carbaldehyde
CID 10403184

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidine-2,5-dione?
The IUPAC name of (3S,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidine-2,5-dione (CID 102282449) is (3S,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidine-2,5-dione.
What is the SMILES notation for (3S,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidine-2,5-dione?
The canonical SMILES for (3S,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidine-2,5-dione is COc1ccc(CN2C(=O)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](OCc3ccccc3)C2=O)cc1.
What is the InChIKey of (3S,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidine-2,5-dione?
The InChIKey is HDFASHLADMTIQB-LQJZCPKCSA-N. The full InChI is InChI=1S/C36H39NO5Si/c1-36(2,3)43(30-16-10-6-11-17-30,31-18-12-7-13-19-31)42-26-32-33(41-25-28-14-8-5-9-15-28)35(39)37(34(32)38)24-27-20-22-29(40-4)23-21-27/h5-23,32-33H,24-26H2,1-4H3/t32-,33-/m0/s1.
What are the key properties of (3S,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidine-2,5-dione?
(3S,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidine-2,5-dione has a molecular weight of 593.80 g/mol, XLogP of 5.34, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidine-2,5-dione is sourced from PubChem (CID 102282449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).