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

C19H38INO4Si2 — CID 10815976

IUPAC(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-iodopropyl)pyrrolidine-2,5-dione
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C(=O)N(CCCI)C(=O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38INO4Si2/c1-18(2,3)26(7,8)24-14-15(25-27(9,10)19(4,5)6)17(23)21(16(14)22)13-11-12-20/h14-15H,11-13H2,1-10H3/t14-,15-/m1/s1
InChIKeyOPNOFFYKMMUKOO-HUUCEWRRSA-N
MW527.59 g/mol
LogP4.96
Rot. Bonds7

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

(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-iodopropyl)pyrrolidine-2,5-dione (PubChem CID 10815976) has the molecular formula C19H38INO4Si2 and a molecular weight of 527.59 g/mol. Its IUPAC name is (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-iodopropyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-iodopropyl)pyrrolidine-2,5-dione
PubChem CID10815976
Molecular FormulaC19H38INO4Si2
Molecular Weight527.59 g/mol
Exact Mass527.14
IUPAC Name(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-iodopropyl)pyrrolidine-2,5-dione
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C(=O)N(CCCI)C(=O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38INO4Si2/c1-18(2,3)26(7,8)24-14-15(25-27(9,10)19(4,5)6)17(23)21(16(14)22)13-11-12-20/h14-15H,11-13H2,1-10H3/t14-,15-/m1/s1
InChIKeyOPNOFFYKMMUKOO-HUUCEWRRSA-N
XLogP4.96
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.59
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-(3-iodopropyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-iodopropyl)pyrrolidine-2,5-dione (CID 10815976) is (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-iodopropyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-iodopropyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-iodopropyl)pyrrolidine-2,5-dione is CC(C)(C)[Si](C)(C)O[C@H]1C(=O)N(CCCI)C(=O)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-iodopropyl)pyrrolidine-2,5-dione?
The InChIKey is OPNOFFYKMMUKOO-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H38INO4Si2/c1-18(2,3)26(7,8)24-14-15(25-27(9,10)19(4,5)6)17(23)21(16(14)22)13-11-12-20/h14-15H,11-13H2,1-10H3/t14-,15-/m1/s1.
What are the key properties of (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-iodopropyl)pyrrolidine-2,5-dione?
(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-iodopropyl)pyrrolidine-2,5-dione has a molecular weight of 527.59 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-iodopropyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 10815976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).