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

C21H36O6 — CID 71322665

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

2-[2-[2-[2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 71322665) has the molecular formula C21H36O6 and a molecular weight of 384.51 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• PubChem CID: 71322665
• Molecular Formula: C21H36O6
• Molecular Weight: 384.51 g/mol
• Exact Mass: 384.25
• IUPAC Name: 2-[2-[2-[2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• SMILES: CCC(C)(C)c1ccc(OCCOCCOCCOCCOCCO)cc1
• InChI: InChI=1S/C21H36O6/c1-4-21(2,3)19-5-7-20(8-6-19)27-18-17-26-16-15-25-14-13-24-12-11-23-10-9-22/h5-8,22H,4,9-18H2,1-3H3
• InChIKey: JAVNBXBFFSQNGO-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 66.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.51
LogP ≤ 5	2.81
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-[2-[2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[2-[2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 71322665) is 2-[2-[2-[2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

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

The canonical SMILES for 2-[2-[2-[2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is CCC(C)(C)c1ccc(OCCOCCOCCOCCOCCO)cc1.

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

The InChIKey is JAVNBXBFFSQNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O6/c1-4-21(2,3)19-5-7-20(8-6-19)27-18-17-26-16-15-25-14-13-24-12-11-23-10-9-22/h5-8,22H,4,9-18H2,1-3H3.

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

2-[2-[2-[2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 384.51 g/mol, XLogP of 2.81, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 71322665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).