5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl-(5-hydroxypentyl)amino]pentyl pentadecan-7-yl carbonate

C34H69NO8 — CID 170390090

About 5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl-(5-hydroxypentyl)amino]pentyl pentadecan-7-yl carbonate

5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl-(5-hydroxypentyl)amino]pentyl pentadecan-7-yl carbonate (PubChem CID 170390090) has the molecular formula C34H69NO8 and a molecular weight of 619.93 g/mol. Its IUPAC name is 5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl-(5-hydroxypentyl)amino]pentyl pentadecan-7-yl carbonate.

Molecular Properties

• Compound Name: 5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl-(5-hydroxypentyl)amino]pentyl pentadecan-7-yl carbonate
• PubChem CID: 170390090
• Molecular Formula: C34H69NO8
• Molecular Weight: 619.93 g/mol
• Exact Mass: 619.50
• IUPAC Name: 5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl-(5-hydroxypentyl)amino]pentyl pentadecan-7-yl carbonate
• SMILES: CCCCCCCCC(CCCCCC)OC(=O)OCCCCCN(CCCCCO)CCOCCOCCOCCO
• InChI: InChI=1S/C34H69NO8/c1-3-5-7-9-10-14-20-33(19-13-8-6-4-2)43-34(38)42-26-18-12-16-22-35(21-15-11-17-24-36)23-27-39-29-31-41-32-30-40-28-25-37/h33,36-37H,3-32H2,1-2H3
• InChIKey: RHTDCADLRSYZOT-UHFFFAOYSA-N
• XLogP: 6.91
• TPSA: 106.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 35
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.93
LogP ≤ 5	6.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl-(5-hydroxypentyl)amino]pentyl pentadecan-7-yl carbonate?

The IUPAC name of 5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl-(5-hydroxypentyl)amino]pentyl pentadecan-7-yl carbonate (CID 170390090) is 5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl-(5-hydroxypentyl)amino]pentyl pentadecan-7-yl carbonate.

What is the SMILES notation for 5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl-(5-hydroxypentyl)amino]pentyl pentadecan-7-yl carbonate?

The canonical SMILES for 5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl-(5-hydroxypentyl)amino]pentyl pentadecan-7-yl carbonate is CCCCCCCCC(CCCCCC)OC(=O)OCCCCCN(CCCCCO)CCOCCOCCOCCO.

What is the InChIKey of 5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl-(5-hydroxypentyl)amino]pentyl pentadecan-7-yl carbonate?

The InChIKey is RHTDCADLRSYZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H69NO8/c1-3-5-7-9-10-14-20-33(19-13-8-6-4-2)43-34(38)42-26-18-12-16-22-35(21-15-11-17-24-36)23-27-39-29-31-41-32-30-40-28-25-37/h33,36-37H,3-32H2,1-2H3.

What are the key properties of 5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl-(5-hydroxypentyl)amino]pentyl pentadecan-7-yl carbonate?

5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl-(5-hydroxypentyl)amino]pentyl pentadecan-7-yl carbonate has a molecular weight of 619.93 g/mol, XLogP of 6.91, 35 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl-(5-hydroxypentyl)amino]pentyl pentadecan-7-yl carbonate is sourced from PubChem (CID 170390090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).