4-(3-triethoxysilylpropyl)-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione

C17H29NO6Si — CID 59439499

IUPAC4-(3-triethoxysilylpropyl)-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione
SMILESCCO[Si](CCCN1C(=O)C2CC3OC3CC2C1=O)(OCC)OCC
InChIInChI=1S/C17H29NO6Si/c1-4-21-25(22-5-2,23-6-3)9-7-8-18-16(19)12-10-14-15(24-14)11-13(12)17(18)20/h12-15H,4-11H2,1-3H3
InChIKeyXAAFOGQGSVDUGC-UHFFFAOYSA-N
MW371.51 g/mol
LogP1.59
Rot. Bonds10

About 4-(3-triethoxysilylpropyl)-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione

4-(3-triethoxysilylpropyl)-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione (PubChem CID 59439499) has the molecular formula C17H29NO6Si and a molecular weight of 371.51 g/mol. Its IUPAC name is 4-(3-triethoxysilylpropyl)-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione.

Molecular Properties

Compound Name4-(3-triethoxysilylpropyl)-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione
PubChem CID59439499
Molecular FormulaC17H29NO6Si
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC Name4-(3-triethoxysilylpropyl)-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione
SMILESCCO[Si](CCCN1C(=O)C2CC3OC3CC2C1=O)(OCC)OCC
InChIInChI=1S/C17H29NO6Si/c1-4-21-25(22-5-2,23-6-3)9-7-8-18-16(19)12-10-14-15(24-14)11-13(12)17(18)20/h12-15H,4-11H2,1-3H3
InChIKeyXAAFOGQGSVDUGC-UHFFFAOYSA-N
XLogP1.59
TPSA77.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-triethoxysilylpropyl)-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione?
The IUPAC name of 4-(3-triethoxysilylpropyl)-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione (CID 59439499) is 4-(3-triethoxysilylpropyl)-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione.
What is the SMILES notation for 4-(3-triethoxysilylpropyl)-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione?
The canonical SMILES for 4-(3-triethoxysilylpropyl)-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione is CCO[Si](CCCN1C(=O)C2CC3OC3CC2C1=O)(OCC)OCC.
What is the InChIKey of 4-(3-triethoxysilylpropyl)-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione?
The InChIKey is XAAFOGQGSVDUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO6Si/c1-4-21-25(22-5-2,23-6-3)9-7-8-18-16(19)12-10-14-15(24-14)11-13(12)17(18)20/h12-15H,4-11H2,1-3H3.
What are the key properties of 4-(3-triethoxysilylpropyl)-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione?
4-(3-triethoxysilylpropyl)-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione has a molecular weight of 371.51 g/mol, XLogP of 1.59, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-triethoxysilylpropyl)-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione is sourced from PubChem (CID 59439499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).