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

C28H58O6 — CID 139596177

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

2-[2-[1-[1-(1-pentadecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]ethoxy]ethanol (PubChem CID 139596177) has the molecular formula C28H58O6 and a molecular weight of 490.77 g/mol. Its IUPAC name is 2-[2-[1-[1-(1-pentadecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[1-[1-(1-pentadecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]ethoxy]ethanol
• PubChem CID: 139596177
• Molecular Formula: C28H58O6
• Molecular Weight: 490.77 g/mol
• Exact Mass: 490.42
• IUPAC Name: 2-[2-[1-[1-(1-pentadecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]ethoxy]ethanol
• SMILES: CCCCCCCCCCCCCCCOCC(C)OCC(C)OCC(C)OCCOCCO
• InChI: InChI=1S/C28H58O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-31-23-26(2)33-25-28(4)34-24-27(3)32-22-21-30-20-18-29/h26-29H,5-25H2,1-4H3
• InChIKey: NAKQBLYZSUJXTP-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 66.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 28
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.77
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[2-[1-[1-(1-pentadecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]ethoxy]ethanol (CID 139596177) is 2-[2-[1-[1-(1-pentadecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]ethoxy]ethanol.

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

The canonical SMILES for 2-[2-[1-[1-(1-pentadecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]ethoxy]ethanol is CCCCCCCCCCCCCCCOCC(C)OCC(C)OCC(C)OCCOCCO.

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

The InChIKey is NAKQBLYZSUJXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-31-23-26(2)33-25-28(4)34-24-27(3)32-22-21-30-20-18-29/h26-29H,5-25H2,1-4H3.

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

2-[2-[1-[1-(1-pentadecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]ethoxy]ethanol has a molecular weight of 490.77 g/mol, XLogP of 6.32, 28 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[1-[1-(1-pentadecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]ethoxy]ethanol is sourced from PubChem (CID 139596177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).