(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione

C24H41NO5Si2 — CID 11059888

IUPAC(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(CN2C(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C2=O)cc1
InChIInChI=1S/C24H41NO5Si2/c1-23(2,3)31(8,9)29-19-20(30-32(10,11)24(4,5)6)22(27)25(21(19)26)16-17-12-14-18(28-7)15-13-17/h12-15,19-20H,16H2,1-11H3/t19-,20-/m1/s1
InChIKeySQWRJVPRMJNGFB-WOJBJXKFSA-N
MW479.77 g/mol
LogP5.34
Rot. Bonds7

About (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione

(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 11059888) has the molecular formula C24H41NO5Si2 and a molecular weight of 479.77 g/mol. Its IUPAC name is (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID11059888
Molecular FormulaC24H41NO5Si2
Molecular Weight479.77 g/mol
Exact Mass479.25
IUPAC Name(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(CN2C(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C2=O)cc1
InChIInChI=1S/C24H41NO5Si2/c1-23(2,3)31(8,9)29-19-20(30-32(10,11)24(4,5)6)22(27)25(21(19)26)16-17-12-14-18(28-7)15-13-17/h12-15,19-20H,16H2,1-11H3/t19-,20-/m1/s1
InChIKeySQWRJVPRMJNGFB-WOJBJXKFSA-N
XLogP5.34
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.77
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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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione (CID 11059888) is (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione is COc1ccc(CN2C(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C2=O)cc1.
What is the InChIKey of (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is SQWRJVPRMJNGFB-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H41NO5Si2/c1-23(2,3)31(8,9)29-19-20(30-32(10,11)24(4,5)6)22(27)25(21(19)26)16-17-12-14-18(28-7)15-13-17/h12-15,19-20H,16H2,1-11H3/t19-,20-/m1/s1.
What are the key properties of (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 479.77 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 11059888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).