2-[2-[2-[2-[2-[2-[2-[4-(2-methylheptan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

C28H50O8 — CID 90471302

About 2-[2-[2-[2-[2-[2-[2-[4-(2-methylheptan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[2-[2-[2-[4-(2-methylheptan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 90471302) has the molecular formula C28H50O8 and a molecular weight of 514.70 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[4-(2-methylheptan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-[2-[4-(2-methylheptan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• PubChem CID: 90471302
• Molecular Formula: C28H50O8
• Molecular Weight: 514.70 g/mol
• Exact Mass: 514.35
• IUPAC Name: 2-[2-[2-[2-[2-[2-[2-[4-(2-methylheptan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• SMILES: CCCCCC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCOCCO)cc1
• InChI: InChI=1S/C28H50O8/c1-4-5-6-11-28(2,3)26-7-9-27(10-8-26)36-25-24-35-23-22-34-21-20-33-19-18-32-17-16-31-15-14-30-13-12-29/h7-10,29H,4-6,11-25H2,1-3H3
• InChIKey: NRWZXHVDZUYHPH-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 84.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 26
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.70
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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-[2-[4-(2-methylheptan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[4-(2-methylheptan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 90471302) is 2-[2-[2-[2-[2-[2-[2-[4-(2-methylheptan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[4-(2-methylheptan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[4-(2-methylheptan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is CCCCCC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCOCCO)cc1.

What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[4-(2-methylheptan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

The InChIKey is NRWZXHVDZUYHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50O8/c1-4-5-6-11-28(2,3)26-7-9-27(10-8-26)36-25-24-35-23-22-34-21-20-33-19-18-32-17-16-31-15-14-30-13-12-29/h7-10,29H,4-6,11-25H2,1-3H3.

What are the key properties of 2-[2-[2-[2-[2-[2-[2-[4-(2-methylheptan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

2-[2-[2-[2-[2-[2-[2-[4-(2-methylheptan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 514.70 g/mol, XLogP of 4.02, 26 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-[2-[4-(2-methylheptan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 90471302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).