(3R,4R)-1-benzyl-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]nonyl]-3-phenylmethoxyazetidin-2-one

C38H63NO4Si2 — CID 10985167

About (3R,4R)-1-benzyl-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]nonyl]-3-phenylmethoxyazetidin-2-one

(3R,4R)-1-benzyl-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]nonyl]-3-phenylmethoxyazetidin-2-one (PubChem CID 10985167) has the molecular formula C38H63NO4Si2 and a molecular weight of 654.10 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]nonyl]-3-phenylmethoxyazetidin-2-one.

Molecular Properties

• Compound Name: (3R,4R)-1-benzyl-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]nonyl]-3-phenylmethoxyazetidin-2-one
• PubChem CID: 10985167
• Molecular Formula: C38H63NO4Si2
• Molecular Weight: 654.10 g/mol
• Exact Mass: 653.43
• IUPAC Name: (3R,4R)-1-benzyl-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]nonyl]-3-phenylmethoxyazetidin-2-one
• SMILES: CCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H](OCc2ccccc2)C(=O)N1Cc1ccccc1
• InChI: InChI=1S/C38H63NO4Si2/c1-12-13-14-15-22-27-32(42-44(8,9)37(2,3)4)34(43-45(10,11)38(5,6)7)33-35(41-29-31-25-20-17-21-26-31)36(40)39(33)28-30-23-18-16-19-24-30/h16-21,23-26,32-35H,12-15,22,27-29H2,1-11H3/t32-,33-,34+,35+/m0/s1
• InChIKey: YFGKHEFWDQIBSP-NUXXNWGHSA-N
• XLogP: 10.12
• TPSA: 48.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.10
LogP ≤ 5	10.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]nonyl]-3-phenylmethoxyazetidin-2-one?

The IUPAC name of (3R,4R)-1-benzyl-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]nonyl]-3-phenylmethoxyazetidin-2-one (CID 10985167) is (3R,4R)-1-benzyl-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]nonyl]-3-phenylmethoxyazetidin-2-one.

What is the SMILES notation for (3R,4R)-1-benzyl-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]nonyl]-3-phenylmethoxyazetidin-2-one?

The canonical SMILES for (3R,4R)-1-benzyl-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]nonyl]-3-phenylmethoxyazetidin-2-one is CCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H](OCc2ccccc2)C(=O)N1Cc1ccccc1.

What is the InChIKey of (3R,4R)-1-benzyl-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]nonyl]-3-phenylmethoxyazetidin-2-one?

The InChIKey is YFGKHEFWDQIBSP-NUXXNWGHSA-N. The full InChI is InChI=1S/C38H63NO4Si2/c1-12-13-14-15-22-27-32(42-44(8,9)37(2,3)4)34(43-45(10,11)38(5,6)7)33-35(41-29-31-25-20-17-21-26-31)36(40)39(33)28-30-23-18-16-19-24-30/h16-21,23-26,32-35H,12-15,22,27-29H2,1-11H3/t32-,33-,34+,35+/m0/s1.

What are the key properties of (3R,4R)-1-benzyl-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]nonyl]-3-phenylmethoxyazetidin-2-one?

(3R,4R)-1-benzyl-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]nonyl]-3-phenylmethoxyazetidin-2-one has a molecular weight of 654.10 g/mol, XLogP of 10.12, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R)-1-benzyl-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]nonyl]-3-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 10985167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).