(5R,6R)-4-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-6-phenyl-5-(2-trimethylsilylethoxy)oxan-2-one

C26H43NO4Si — CID 10695330

About (5R,6R)-4-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-6-phenyl-5-(2-trimethylsilylethoxy)oxan-2-one

(5R,6R)-4-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-6-phenyl-5-(2-trimethylsilylethoxy)oxan-2-one (PubChem CID 10695330) has the molecular formula C26H43NO4Si and a molecular weight of 461.72 g/mol. Its IUPAC name is (5R,6R)-4-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-6-phenyl-5-(2-trimethylsilylethoxy)oxan-2-one.

Molecular Properties

• Compound Name: (5R,6R)-4-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-6-phenyl-5-(2-trimethylsilylethoxy)oxan-2-one
• PubChem CID: 10695330
• Molecular Formula: C26H43NO4Si
• Molecular Weight: 461.72 g/mol
• Exact Mass: 461.30
• IUPAC Name: (5R,6R)-4-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-6-phenyl-5-(2-trimethylsilylethoxy)oxan-2-one
• SMILES: CCC(CC)(OC)[C@@H]1CCCN1C1CC(=O)O[C@H](c2ccccc2)[C@@H]1OCC[Si](C)(C)C
• InChI: InChI=1S/C26H43NO4Si/c1-7-26(8-2,29-3)22-15-12-16-27(22)21-19-23(28)31-24(20-13-10-9-11-14-20)25(21)30-17-18-32(4,5)6/h9-11,13-14,21-22,24-25H,7-8,12,15-19H2,1-6H3/t21?,22-,24+,25+/m0/s1
• InChIKey: QTBVJDIFDISKOV-KVFQWPPYSA-N
• XLogP: 5.44
• TPSA: 48.00 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.72
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-4-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-6-phenyl-5-(2-trimethylsilylethoxy)oxan-2-one?

The IUPAC name of (5R,6R)-4-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-6-phenyl-5-(2-trimethylsilylethoxy)oxan-2-one (CID 10695330) is (5R,6R)-4-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-6-phenyl-5-(2-trimethylsilylethoxy)oxan-2-one.

What is the SMILES notation for (5R,6R)-4-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-6-phenyl-5-(2-trimethylsilylethoxy)oxan-2-one?

The canonical SMILES for (5R,6R)-4-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-6-phenyl-5-(2-trimethylsilylethoxy)oxan-2-one is CCC(CC)(OC)[C@@H]1CCCN1C1CC(=O)O[C@H](c2ccccc2)[C@@H]1OCC[Si](C)(C)C.

What is the InChIKey of (5R,6R)-4-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-6-phenyl-5-(2-trimethylsilylethoxy)oxan-2-one?

The InChIKey is QTBVJDIFDISKOV-KVFQWPPYSA-N. The full InChI is InChI=1S/C26H43NO4Si/c1-7-26(8-2,29-3)22-15-12-16-27(22)21-19-23(28)31-24(20-13-10-9-11-14-20)25(21)30-17-18-32(4,5)6/h9-11,13-14,21-22,24-25H,7-8,12,15-19H2,1-6H3/t21?,22-,24+,25+/m0/s1.

What are the key properties of (5R,6R)-4-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-6-phenyl-5-(2-trimethylsilylethoxy)oxan-2-one?

(5R,6R)-4-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-6-phenyl-5-(2-trimethylsilylethoxy)oxan-2-one has a molecular weight of 461.72 g/mol, XLogP of 5.44, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,6R)-4-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-6-phenyl-5-(2-trimethylsilylethoxy)oxan-2-one is sourced from PubChem (CID 10695330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).