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

C39H80O11 — CID 139596809

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

2-[2-[2-[2-[1-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 139596809) has the molecular formula C39H80O11 and a molecular weight of 725.06 g/mol. Its IUPAC name is 2-[2-[2-[2-[1-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[1-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol
• PubChem CID: 139596809
• Molecular Formula: C39H80O11
• Molecular Weight: 725.06 g/mol
• Exact Mass: 724.57
• IUPAC Name: 2-[2-[2-[2-[1-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol
• SMILES: CCCCCCCCCCCCCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCCOCCOCCOCCO
• InChI: InChI=1S/C39H80O11/c1-8-9-10-11-12-13-14-15-16-17-18-20-44-28-34(2)46-30-36(4)48-32-38(6)50-33-39(7)49-31-37(5)47-29-35(3)45-27-26-43-25-24-42-23-22-41-21-19-40/h34-40H,8-33H2,1-7H3
• InChIKey: QPCIOIXIPSMDDS-UHFFFAOYSA-N
• XLogP: 6.79
• TPSA: 112.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 41
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	725.06
LogP ≤ 5	6.79
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-[1-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[2-[2-[1-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol (CID 139596809) is 2-[2-[2-[2-[1-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol.

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

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

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

The InChIKey is QPCIOIXIPSMDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H80O11/c1-8-9-10-11-12-13-14-15-16-17-18-20-44-28-34(2)46-30-36(4)48-32-38(6)50-33-39(7)49-31-37(5)47-29-35(3)45-27-26-43-25-24-42-23-22-41-21-19-40/h34-40H,8-33H2,1-7H3.

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

2-[2-[2-[2-[1-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 725.06 g/mol, XLogP of 6.79, 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-[1-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 139596809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).