2-[2-[2-[2-[2-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

C38H78O11 — CID 139594995

About 2-[2-[2-[2-[2-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[2-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 139594995) has the molecular formula C38H78O11 and a molecular weight of 711.03 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• PubChem CID: 139594995
• Molecular Formula: C38H78O11
• Molecular Weight: 711.03 g/mol
• Exact Mass: 710.55
• IUPAC Name: 2-[2-[2-[2-[2-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• SMILES: CCCCCCCCCCCCCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCCOCCOCCOCCOCCO
• InChI: InChI=1S/C38H78O11/c1-7-8-9-10-11-12-13-14-15-16-17-19-44-29-34(2)46-31-36(4)48-33-38(6)49-32-37(5)47-30-35(3)45-28-27-43-26-25-42-24-23-41-22-21-40-20-18-39/h34-39H,7-33H2,1-6H3
• InChIKey: FXFZCQRLVGSKDC-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 112.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 41
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	711.03
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[2-[2-[2-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 139594995) is 2-[2-[2-[2-[2-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

What is the SMILES notation for 2-[2-[2-[2-[2-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

The canonical SMILES for 2-[2-[2-[2-[2-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is CCCCCCCCCCCCCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCCOCCOCCOCCOCCO.

What is the InChIKey of 2-[2-[2-[2-[2-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

The InChIKey is FXFZCQRLVGSKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H78O11/c1-7-8-9-10-11-12-13-14-15-16-17-19-44-29-34(2)46-31-36(4)48-33-38(6)49-32-37(5)47-30-35(3)45-28-27-43-26-25-42-24-23-41-22-21-40-20-18-39/h34-39H,7-33H2,1-6H3.

What are the key properties of 2-[2-[2-[2-[2-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

2-[2-[2-[2-[2-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 711.03 g/mol, XLogP of 6.40, 41 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 139594995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).