tert-butyl 3-[2-(2-bromoethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoate;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione

C48H61BrN4O18 — CID 165103372

About tert-butyl 3-[2-(2-bromoethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoate;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione

tert-butyl 3-[2-(2-bromoethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoate;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione (PubChem CID 165103372) has the molecular formula C48H61BrN4O18 and a molecular weight of 1061.93 g/mol. Its IUPAC name is tert-butyl 3-[2-(2-bromoethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoate;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione.

Molecular Properties

• Compound Name: tert-butyl 3-[2-(2-bromoethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoate;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione
• PubChem CID: 165103372
• Molecular Formula: C48H61BrN4O18
• Molecular Weight: 1061.93 g/mol
• Exact Mass: 1060.32
• IUPAC Name: tert-butyl 3-[2-(2-bromoethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoate;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione
• SMILES: CC(C)(C)OC(=O)CCOCCOCCBr.CC(C)(C)OC(=O)CCOCCOCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2C(=O)c3cccc(O)c3C2=O)C(=O)N1
• InChI: InChI=1S/C24H30N2O9.C13H10N2O5.C11H21BrO4/c1-24(2,3)35-19(28)9-10-32-11-12-33-13-14-34-17-6-4-5-15-20(17)23(31)26(22(15)30)16-7-8-18(27)25-21(16)29;16-8-3-1-2-6-10(8)13(20)15(12(6)19)7-4-5-9(17)14-11(7)18;1-11(2,3)16-10(13)4-6-14-8-9-15-7-5-12/h4-6,16H,7-14H2,1-3H3,(H,25,27,29);1-3,7,16H,4-5H2,(H,14,17,18);4-9H2,1-3H3
• InChIKey: YSHCITXSAJPDLR-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 286.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1061.93
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(2-bromoethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoate;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione?

The IUPAC name of tert-butyl 3-[2-(2-bromoethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoate;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione (CID 165103372) is tert-butyl 3-[2-(2-bromoethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoate;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione.

What is the SMILES notation for tert-butyl 3-[2-(2-bromoethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoate;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione?

The canonical SMILES for tert-butyl 3-[2-(2-bromoethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoate;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione is CC(C)(C)OC(=O)CCOCCOCCBr.CC(C)(C)OC(=O)CCOCCOCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2C(=O)c3cccc(O)c3C2=O)C(=O)N1.

What is the InChIKey of tert-butyl 3-[2-(2-bromoethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoate;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione?

The InChIKey is YSHCITXSAJPDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O9.C13H10N2O5.C11H21BrO4/c1-24(2,3)35-19(28)9-10-32-11-12-33-13-14-34-17-6-4-5-15-20(17)23(31)26(22(15)30)16-7-8-18(27)25-21(16)29;16-8-3-1-2-6-10(8)13(20)15(12(6)19)7-4-5-9(17)14-11(7)18;1-11(2,3)16-10(13)4-6-14-8-9-15-7-5-12/h4-6,16H,7-14H2,1-3H3,(H,25,27,29);1-3,7,16H,4-5H2,(H,14,17,18);4-9H2,1-3H3.

What are the key properties of tert-butyl 3-[2-(2-bromoethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoate;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione?

tert-butyl 3-[2-(2-bromoethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoate;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione has a molecular weight of 1061.93 g/mol, XLogP of 3.17, 20 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[2-(2-bromoethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoate;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione is sourced from PubChem (CID 165103372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).