tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-[(E)-3-oxoprop-1-enyl]-1,3-oxazolidine-3-carboxylate

C30H41NO5Si — CID 10875050

About tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-[(E)-3-oxoprop-1-enyl]-1,3-oxazolidine-3-carboxylate

tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-[(E)-3-oxoprop-1-enyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 10875050) has the molecular formula C30H41NO5Si and a molecular weight of 523.75 g/mol. Its IUPAC name is tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-[(E)-3-oxoprop-1-enyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-[(E)-3-oxoprop-1-enyl]-1,3-oxazolidine-3-carboxylate
• PubChem CID: 10875050
• Molecular Formula: C30H41NO5Si
• Molecular Weight: 523.75 g/mol
• Exact Mass: 523.28
• IUPAC Name: tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-[(E)-3-oxoprop-1-enyl]-1,3-oxazolidine-3-carboxylate
• SMILES: CC(C)(C)OC(=O)N1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](/C=C/C=O)OC1(C)C
• InChI: InChI=1S/C30H41NO5Si/c1-28(2,3)36-27(33)31-25(26(20-15-21-32)35-30(31,7)8)22-34-37(29(4,5)6,23-16-11-9-12-17-23)24-18-13-10-14-19-24/h9-21,25-26H,22H2,1-8H3/b20-15+/t25-,26-/m1/s1
• InChIKey: AHDXBHDLIZWQRX-JQJCMXQBSA-N
• XLogP: 5.06
• TPSA: 65.07 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.75
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-[(E)-3-oxoprop-1-enyl]-1,3-oxazolidine-3-carboxylate?

The IUPAC name of tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-[(E)-3-oxoprop-1-enyl]-1,3-oxazolidine-3-carboxylate (CID 10875050) is tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-[(E)-3-oxoprop-1-enyl]-1,3-oxazolidine-3-carboxylate.

What is the SMILES notation for tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-[(E)-3-oxoprop-1-enyl]-1,3-oxazolidine-3-carboxylate?

The canonical SMILES for tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-[(E)-3-oxoprop-1-enyl]-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](/C=C/C=O)OC1(C)C.

What is the InChIKey of tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-[(E)-3-oxoprop-1-enyl]-1,3-oxazolidine-3-carboxylate?

The InChIKey is AHDXBHDLIZWQRX-JQJCMXQBSA-N. The full InChI is InChI=1S/C30H41NO5Si/c1-28(2,3)36-27(33)31-25(26(20-15-21-32)35-30(31,7)8)22-34-37(29(4,5)6,23-16-11-9-12-17-23)24-18-13-10-14-19-24/h9-21,25-26H,22H2,1-8H3/b20-15+/t25-,26-/m1/s1.

What are the key properties of tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-[(E)-3-oxoprop-1-enyl]-1,3-oxazolidine-3-carboxylate?

tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-[(E)-3-oxoprop-1-enyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 523.75 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-[(E)-3-oxoprop-1-enyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10875050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).