5-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]pentanal

C23H28N2O7 — CID 134489138

About 5-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]pentanal

5-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]pentanal (PubChem CID 134489138) has the molecular formula C23H28N2O7 and a molecular weight of 444.48 g/mol. Its IUPAC name is 5-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]pentanal.

Molecular Properties

• Compound Name: 5-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]pentanal
• PubChem CID: 134489138
• Molecular Formula: C23H28N2O7
• Molecular Weight: 444.48 g/mol
• Exact Mass: 444.19
• IUPAC Name: 5-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]pentanal
• SMILES: O=CCCCCOCCCCCOc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C23H28N2O7/c26-11-3-1-4-12-31-13-5-2-6-14-32-16-7-8-17-18(15-16)23(30)25(22(17)29)19-9-10-20(27)24-21(19)28/h7-8,11,15,19H,1-6,9-10,12-14H2,(H,24,27,28)
• InChIKey: GKEBRBHCKVYDGF-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 119.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.48
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]pentanal?

The IUPAC name of 5-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]pentanal (CID 134489138) is 5-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]pentanal.

What is the SMILES notation for 5-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]pentanal?

The canonical SMILES for 5-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]pentanal is O=CCCCCOCCCCCOc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 5-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]pentanal?

The InChIKey is GKEBRBHCKVYDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O7/c26-11-3-1-4-12-31-13-5-2-6-14-32-16-7-8-17-18(15-16)23(30)25(22(17)29)19-9-10-20(27)24-21(19)28/h7-8,11,15,19H,1-6,9-10,12-14H2,(H,24,27,28).

What are the key properties of 5-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]pentanal?

5-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]pentanal has a molecular weight of 444.48 g/mol, XLogP of 2.02, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]pentanal is sourced from PubChem (CID 134489138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).