(5R)-1-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-3-ethenyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one

C30H35NO4Si — CID 134848013

About (5R)-1-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-3-ethenyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one

(5R)-1-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-3-ethenyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one (PubChem CID 134848013) has the molecular formula C30H35NO4Si and a molecular weight of 501.70 g/mol. Its IUPAC name is (5R)-1-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-3-ethenyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (5R)-1-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-3-ethenyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one
• PubChem CID: 134848013
• Molecular Formula: C30H35NO4Si
• Molecular Weight: 501.70 g/mol
• Exact Mass: 501.23
• IUPAC Name: (5R)-1-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-3-ethenyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one
• SMILES: C=CC1=CC(=O)O[C@H]1[C@H]1CCC(=O)N1C(C=C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C30H35NO4Si/c1-6-22-20-28(33)35-29(22)26-18-19-27(32)31(26)23(7-2)21-34-36(30(3,4)5,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h6-17,20,23,26,29H,1-2,18-19,21H2,3-5H3/t23?,26-,29-/m1/s1
• InChIKey: JBFNWGAYFFNHFC-STQDQYIESA-N
• XLogP: 4.15
• TPSA: 55.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.70
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-1-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-3-ethenyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one?

The IUPAC name of (5R)-1-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-3-ethenyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one (CID 134848013) is (5R)-1-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-3-ethenyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one.

What is the SMILES notation for (5R)-1-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-3-ethenyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one?

The canonical SMILES for (5R)-1-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-3-ethenyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one is C=CC1=CC(=O)O[C@H]1[C@H]1CCC(=O)N1C(C=C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of (5R)-1-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-3-ethenyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one?

The InChIKey is JBFNWGAYFFNHFC-STQDQYIESA-N. The full InChI is InChI=1S/C30H35NO4Si/c1-6-22-20-28(33)35-29(22)26-18-19-27(32)31(26)23(7-2)21-34-36(30(3,4)5,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h6-17,20,23,26,29H,1-2,18-19,21H2,3-5H3/t23?,26-,29-/m1/s1.

What are the key properties of (5R)-1-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-3-ethenyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one?

(5R)-1-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-3-ethenyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one has a molecular weight of 501.70 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-1-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-3-ethenyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 134848013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).