1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate

C27H37NO5Si — CID 67034304

IUPAC1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)C1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C27H37NO5Si/c1-26(2,3)32-25(30)28-19-20(18-23(28)24(29)31-7)33-34(27(4,5)6,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-17,20,23H,18-19H2,1-7H3
InChIKeyBNKKPVAOMOLTSX-UHFFFAOYSA-N
MW483.68 g/mol
LogP4.11
Rot. Bonds5

About 1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate

1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate (PubChem CID 67034304) has the molecular formula C27H37NO5Si and a molecular weight of 483.68 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate
PubChem CID67034304
Molecular FormulaC27H37NO5Si
Molecular Weight483.68 g/mol
Exact Mass483.24
IUPAC Name1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)C1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C27H37NO5Si/c1-26(2,3)32-25(30)28-19-20(18-23(28)24(29)31-7)33-34(27(4,5)6,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-17,20,23H,18-19H2,1-7H3
InChIKeyBNKKPVAOMOLTSX-UHFFFAOYSA-N
XLogP4.11
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.68
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate (CID 67034304) is 1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate is COC(=O)C1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate?
The InChIKey is BNKKPVAOMOLTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NO5Si/c1-26(2,3)32-25(30)28-19-20(18-23(28)24(29)31-7)33-34(27(4,5)6,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-17,20,23H,18-19H2,1-7H3.
What are the key properties of 1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate has a molecular weight of 483.68 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 67034304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).