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

C34H70O9 — CID 139597568

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

2-[2-[2-[2-[2-[2-[1-(1-hexadecoxypropan-2-yloxy)propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 139597568) has the molecular formula C34H70O9 and a molecular weight of 622.93 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[1-(1-hexadecoxypropan-2-yloxy)propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-[1-(1-hexadecoxypropan-2-yloxy)propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• PubChem CID: 139597568
• Molecular Formula: C34H70O9
• Molecular Weight: 622.93 g/mol
• Exact Mass: 622.50
• IUPAC Name: 2-[2-[2-[2-[2-[2-[1-(1-hexadecoxypropan-2-yloxy)propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• SMILES: CCCCCCCCCCCCCCCCOCC(C)OCC(C)OCCOCCOCCOCCOCCOCCO
• InChI: InChI=1S/C34H70O9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-41-31-33(2)43-32-34(3)42-30-29-40-28-27-39-26-25-38-24-23-37-22-21-36-20-18-35/h33-35H,4-32H2,1-3H3
• InChIKey: VZGHPLCEZFZOEV-UHFFFAOYSA-N
• XLogP: 6.37
• TPSA: 94.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 38
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.93
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	1
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 2-[2-[2-[2-[2-[2-[1-(1-hexadecoxypropan-2-yloxy)propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[2-[2-[2-[2-[1-(1-hexadecoxypropan-2-yloxy)propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 139597568) is 2-[2-[2-[2-[2-[2-[1-(1-hexadecoxypropan-2-yloxy)propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

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

The canonical SMILES for 2-[2-[2-[2-[2-[2-[1-(1-hexadecoxypropan-2-yloxy)propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is CCCCCCCCCCCCCCCCOCC(C)OCC(C)OCCOCCOCCOCCOCCOCCO.

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

The InChIKey is VZGHPLCEZFZOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H70O9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-41-31-33(2)43-32-34(3)42-30-29-40-28-27-39-26-25-38-24-23-37-22-21-36-20-18-35/h33-35H,4-32H2,1-3H3.

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

2-[2-[2-[2-[2-[2-[1-(1-hexadecoxypropan-2-yloxy)propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 622.93 g/mol, XLogP of 6.37, 38 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-[1-(1-hexadecoxypropan-2-yloxy)propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 139597568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).