2-trimethylsilylethyl (2S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-5-[(1S)-1-hydroxy-1-(oxan-4-yl)propyl]-3-oxoisoindol-2-yl]-2-methylpropanoate

C37H44Cl2FNO6Si — CID 156666601

About 2-trimethylsilylethyl (2S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-5-[(1S)-1-hydroxy-1-(oxan-4-yl)propyl]-3-oxoisoindol-2-yl]-2-methylpropanoate

2-trimethylsilylethyl (2S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-5-[(1S)-1-hydroxy-1-(oxan-4-yl)propyl]-3-oxoisoindol-2-yl]-2-methylpropanoate (PubChem CID 156666601) has the molecular formula C37H44Cl2FNO6Si and a molecular weight of 716.75 g/mol. Its IUPAC name is 2-trimethylsilylethyl (2S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-5-[(1S)-1-hydroxy-1-(oxan-4-yl)propyl]-3-oxoisoindol-2-yl]-2-methylpropanoate.

Molecular Properties

• Compound Name: 2-trimethylsilylethyl (2S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-5-[(1S)-1-hydroxy-1-(oxan-4-yl)propyl]-3-oxoisoindol-2-yl]-2-methylpropanoate
• PubChem CID: 156666601
• Molecular Formula: C37H44Cl2FNO6Si
• Molecular Weight: 716.75 g/mol
• Exact Mass: 715.23
• IUPAC Name: 2-trimethylsilylethyl (2S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-5-[(1S)-1-hydroxy-1-(oxan-4-yl)propyl]-3-oxoisoindol-2-yl]-2-methylpropanoate
• SMILES: CC[C@@](O)(c1cc(F)c2c(c1)C(=O)N(C(c1ccc(Cl)cc1)[C@H](C)C(=O)OCC[Si](C)(C)C)[C@@]2(O)c1ccc(Cl)cc1)C1CCOCC1
• InChI: InChI=1S/C37H44Cl2FNO6Si/c1-6-36(44,25-15-17-46-18-16-25)27-21-30-32(31(40)22-27)37(45,26-9-13-29(39)14-10-26)41(34(30)42)33(24-7-11-28(38)12-8-24)23(2)35(43)47-19-20-48(3,4)5/h7-14,21-23,25,33,44-45H,6,15-20H2,1-5H3/t23-,33?,36-,37+/m0/s1
• InChIKey: FCKVQRUYOJZJDG-MDOGVTSQSA-N
• XLogP: 8.06
• TPSA: 96.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.75
LogP ≤ 5	8.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl (2S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-5-[(1S)-1-hydroxy-1-(oxan-4-yl)propyl]-3-oxoisoindol-2-yl]-2-methylpropanoate?

The IUPAC name of 2-trimethylsilylethyl (2S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-5-[(1S)-1-hydroxy-1-(oxan-4-yl)propyl]-3-oxoisoindol-2-yl]-2-methylpropanoate (CID 156666601) is 2-trimethylsilylethyl (2S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-5-[(1S)-1-hydroxy-1-(oxan-4-yl)propyl]-3-oxoisoindol-2-yl]-2-methylpropanoate.

What is the SMILES notation for 2-trimethylsilylethyl (2S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-5-[(1S)-1-hydroxy-1-(oxan-4-yl)propyl]-3-oxoisoindol-2-yl]-2-methylpropanoate?

The canonical SMILES for 2-trimethylsilylethyl (2S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-5-[(1S)-1-hydroxy-1-(oxan-4-yl)propyl]-3-oxoisoindol-2-yl]-2-methylpropanoate is CC[C@@](O)(c1cc(F)c2c(c1)C(=O)N(C(c1ccc(Cl)cc1)[C@H](C)C(=O)OCC[Si](C)(C)C)[C@@]2(O)c1ccc(Cl)cc1)C1CCOCC1.

What is the InChIKey of 2-trimethylsilylethyl (2S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-5-[(1S)-1-hydroxy-1-(oxan-4-yl)propyl]-3-oxoisoindol-2-yl]-2-methylpropanoate?

The InChIKey is FCKVQRUYOJZJDG-MDOGVTSQSA-N. The full InChI is InChI=1S/C37H44Cl2FNO6Si/c1-6-36(44,25-15-17-46-18-16-25)27-21-30-32(31(40)22-27)37(45,26-9-13-29(39)14-10-26)41(34(30)42)33(24-7-11-28(38)12-8-24)23(2)35(43)47-19-20-48(3,4)5/h7-14,21-23,25,33,44-45H,6,15-20H2,1-5H3/t23-,33?,36-,37+/m0/s1.

What are the key properties of 2-trimethylsilylethyl (2S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-5-[(1S)-1-hydroxy-1-(oxan-4-yl)propyl]-3-oxoisoindol-2-yl]-2-methylpropanoate?

2-trimethylsilylethyl (2S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-5-[(1S)-1-hydroxy-1-(oxan-4-yl)propyl]-3-oxoisoindol-2-yl]-2-methylpropanoate has a molecular weight of 716.75 g/mol, XLogP of 8.06, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-trimethylsilylethyl (2S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-5-[(1S)-1-hydroxy-1-(oxan-4-yl)propyl]-3-oxoisoindol-2-yl]-2-methylpropanoate is sourced from PubChem (CID 156666601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).