2-(3-triethoxysilylpropyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione

C17H27NO6Si — CID 102027026

About 2-(3-triethoxysilylpropyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione

2-(3-triethoxysilylpropyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione (PubChem CID 102027026) has the molecular formula C17H27NO6Si and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-(3-triethoxysilylpropyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(3-triethoxysilylpropyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
• PubChem CID: 102027026
• Molecular Formula: C17H27NO6Si
• Molecular Weight: 369.49 g/mol
• Exact Mass: 369.16
• IUPAC Name: 2-(3-triethoxysilylpropyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
• SMILES: CCO[Si](CCCN1C(=O)C2C3C=CC(O3)C2C1=O)(OCC)OCC
• InChI: InChI=1S/C17H27NO6Si/c1-4-21-25(22-5-2,23-6-3)11-7-10-18-16(19)14-12-8-9-13(24-12)15(14)17(18)20/h8-9,12-15H,4-7,10-11H2,1-3H3
• InChIKey: OQROJGUKNGFZAQ-UHFFFAOYSA-N
• XLogP: 1.36
• TPSA: 74.30 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.49
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-triethoxysilylpropyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione?

The IUPAC name of 2-(3-triethoxysilylpropyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione (CID 102027026) is 2-(3-triethoxysilylpropyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione.

What is the SMILES notation for 2-(3-triethoxysilylpropyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione?

The canonical SMILES for 2-(3-triethoxysilylpropyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione is CCO[Si](CCCN1C(=O)C2C3C=CC(O3)C2C1=O)(OCC)OCC.

What is the InChIKey of 2-(3-triethoxysilylpropyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione?

The InChIKey is OQROJGUKNGFZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO6Si/c1-4-21-25(22-5-2,23-6-3)11-7-10-18-16(19)14-12-8-9-13(24-12)15(14)17(18)20/h8-9,12-15H,4-7,10-11H2,1-3H3.

What are the key properties of 2-(3-triethoxysilylpropyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione?

2-(3-triethoxysilylpropyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione has a molecular weight of 369.49 g/mol, XLogP of 1.36, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-triethoxysilylpropyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione is sourced from PubChem (CID 102027026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).