2-[(Z)-2-trimethylsilyloxy-2-[(E)-[(2S)-2-tri(propan-2-yl)silyloxypropylidene]amino]ethenyl]isoindole-1,3-dione

C25H40N2O4Si2 — CID 10601088

About 2-[(Z)-2-trimethylsilyloxy-2-[(E)-[(2S)-2-tri(propan-2-yl)silyloxypropylidene]amino]ethenyl]isoindole-1,3-dione

2-[(Z)-2-trimethylsilyloxy-2-[(E)-[(2S)-2-tri(propan-2-yl)silyloxypropylidene]amino]ethenyl]isoindole-1,3-dione (PubChem CID 10601088) has the molecular formula C25H40N2O4Si2 and a molecular weight of 488.78 g/mol. Its IUPAC name is 2-[(Z)-2-trimethylsilyloxy-2-[(E)-[(2S)-2-tri(propan-2-yl)silyloxypropylidene]amino]ethenyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[(Z)-2-trimethylsilyloxy-2-[(E)-[(2S)-2-tri(propan-2-yl)silyloxypropylidene]amino]ethenyl]isoindole-1,3-dione
• PubChem CID: 10601088
• Molecular Formula: C25H40N2O4Si2
• Molecular Weight: 488.78 g/mol
• Exact Mass: 488.25
• IUPAC Name: 2-[(Z)-2-trimethylsilyloxy-2-[(E)-[(2S)-2-tri(propan-2-yl)silyloxypropylidene]amino]ethenyl]isoindole-1,3-dione
• SMILES: CC(C)[Si](O[C@@H](C)/C=N/C(=C/N1C(=O)c2ccccc2C1=O)O[Si](C)(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C25H40N2O4Si2/c1-17(2)33(18(3)4,19(5)6)30-20(7)15-26-23(31-32(8,9)10)16-27-24(28)21-13-11-12-14-22(21)25(27)29/h11-20H,1-10H3/b23-16-,26-15+/t20-/m0/s1
• InChIKey: DSFZLXSPCGAHDJ-RLGQPCGUSA-N
• XLogP: 6.58
• TPSA: 68.20 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.78
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-trimethylsilyloxy-2-[(E)-[(2S)-2-tri(propan-2-yl)silyloxypropylidene]amino]ethenyl]isoindole-1,3-dione?

The IUPAC name of 2-[(Z)-2-trimethylsilyloxy-2-[(E)-[(2S)-2-tri(propan-2-yl)silyloxypropylidene]amino]ethenyl]isoindole-1,3-dione (CID 10601088) is 2-[(Z)-2-trimethylsilyloxy-2-[(E)-[(2S)-2-tri(propan-2-yl)silyloxypropylidene]amino]ethenyl]isoindole-1,3-dione.

What is the SMILES notation for 2-[(Z)-2-trimethylsilyloxy-2-[(E)-[(2S)-2-tri(propan-2-yl)silyloxypropylidene]amino]ethenyl]isoindole-1,3-dione?

The canonical SMILES for 2-[(Z)-2-trimethylsilyloxy-2-[(E)-[(2S)-2-tri(propan-2-yl)silyloxypropylidene]amino]ethenyl]isoindole-1,3-dione is CC(C)[Si](O[C@@H](C)/C=N/C(=C/N1C(=O)c2ccccc2C1=O)O[Si](C)(C)C)(C(C)C)C(C)C.

What is the InChIKey of 2-[(Z)-2-trimethylsilyloxy-2-[(E)-[(2S)-2-tri(propan-2-yl)silyloxypropylidene]amino]ethenyl]isoindole-1,3-dione?

The InChIKey is DSFZLXSPCGAHDJ-RLGQPCGUSA-N. The full InChI is InChI=1S/C25H40N2O4Si2/c1-17(2)33(18(3)4,19(5)6)30-20(7)15-26-23(31-32(8,9)10)16-27-24(28)21-13-11-12-14-22(21)25(27)29/h11-20H,1-10H3/b23-16-,26-15+/t20-/m0/s1.

What are the key properties of 2-[(Z)-2-trimethylsilyloxy-2-[(E)-[(2S)-2-tri(propan-2-yl)silyloxypropylidene]amino]ethenyl]isoindole-1,3-dione?

2-[(Z)-2-trimethylsilyloxy-2-[(E)-[(2S)-2-tri(propan-2-yl)silyloxypropylidene]amino]ethenyl]isoindole-1,3-dione has a molecular weight of 488.78 g/mol, XLogP of 6.58, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(Z)-2-trimethylsilyloxy-2-[(E)-[(2S)-2-tri(propan-2-yl)silyloxypropylidene]amino]ethenyl]isoindole-1,3-dione is sourced from PubChem (CID 10601088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).