2-[2-[2-[2-[2-[2-(9,10,16-trimethoxyhexadecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

C31H64O10 — CID 71333348

About 2-[2-[2-[2-[2-[2-(9,10,16-trimethoxyhexadecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[2-[2-(9,10,16-trimethoxyhexadecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 71333348) has the molecular formula C31H64O10 and a molecular weight of 596.84 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-(9,10,16-trimethoxyhexadecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-(9,10,16-trimethoxyhexadecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• PubChem CID: 71333348
• Molecular Formula: C31H64O10
• Molecular Weight: 596.84 g/mol
• Exact Mass: 596.45
• IUPAC Name: 2-[2-[2-[2-[2-[2-(9,10,16-trimethoxyhexadecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• SMILES: COCCCCCCC(OC)C(CCCCCCCCOCCOCCOCCOCCOCCOCCO)OC
• InChI: InChI=1S/C31H64O10/c1-33-17-12-9-7-11-15-31(35-3)30(34-2)14-10-6-4-5-8-13-18-36-20-22-38-24-26-40-28-29-41-27-25-39-23-21-37-19-16-32/h30-32H,4-29H2,1-3H3
• InChIKey: IQCNZJLODFOODE-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 103.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 36
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	596.84
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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-(9,10,16-trimethoxyhexadecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[2-[2-[2-[2-(9,10,16-trimethoxyhexadecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 71333348) is 2-[2-[2-[2-[2-[2-(9,10,16-trimethoxyhexadecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

What is the SMILES notation for 2-[2-[2-[2-[2-[2-(9,10,16-trimethoxyhexadecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

The canonical SMILES for 2-[2-[2-[2-[2-[2-(9,10,16-trimethoxyhexadecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is COCCCCCCC(OC)C(CCCCCCCCOCCOCCOCCOCCOCCOCCO)OC.

What is the InChIKey of 2-[2-[2-[2-[2-[2-(9,10,16-trimethoxyhexadecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

The InChIKey is IQCNZJLODFOODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H64O10/c1-33-17-12-9-7-11-15-31(35-3)30(34-2)14-10-6-4-5-8-13-18-36-20-22-38-24-26-40-28-29-41-27-25-39-23-21-37-19-16-32/h30-32H,4-29H2,1-3H3.

What are the key properties of 2-[2-[2-[2-[2-[2-(9,10,16-trimethoxyhexadecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

2-[2-[2-[2-[2-[2-(9,10,16-trimethoxyhexadecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 596.84 g/mol, XLogP of 4.44, 36 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-(9,10,16-trimethoxyhexadecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 71333348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).