2-[2-[2-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethoxy]ethoxy]ethanol

C32H38O8 — CID 12994977

About 2-[2-[2-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethoxy]ethoxy]ethanol

2-[2-[2-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethoxy]ethoxy]ethanol (PubChem CID 12994977) has the molecular formula C32H38O8 and a molecular weight of 550.65 g/mol. Its IUPAC name is 2-[2-[2-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethoxy]ethoxy]ethanol
• PubChem CID: 12994977
• Molecular Formula: C32H38O8
• Molecular Weight: 550.65 g/mol
• Exact Mass: 550.26
• IUPAC Name: 2-[2-[2-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethoxy]ethoxy]ethanol
• SMILES: OCCOCCOCCOc1ccc2ccccc2c1-c1c(OCCOCCOCCO)ccc2ccccc12
• InChI: InChI=1S/C32H38O8/c33-13-15-35-17-19-37-21-23-39-29-11-9-25-5-1-3-7-27(25)31(29)32-28-8-4-2-6-26(28)10-12-30(32)40-24-22-38-20-18-36-16-14-34/h1-12,33-34H,13-24H2
• InChIKey: MOAXXAQYEXZLLR-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 95.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.65
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
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-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[2-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethoxy]ethoxy]ethanol (CID 12994977) is 2-[2-[2-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethoxy]ethoxy]ethanol.

What is the SMILES notation for 2-[2-[2-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethoxy]ethoxy]ethanol?

The canonical SMILES for 2-[2-[2-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethoxy]ethoxy]ethanol is OCCOCCOCCOc1ccc2ccccc2c1-c1c(OCCOCCOCCO)ccc2ccccc12.

What is the InChIKey of 2-[2-[2-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethoxy]ethoxy]ethanol?

The InChIKey is MOAXXAQYEXZLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38O8/c33-13-15-35-17-19-37-21-23-39-29-11-9-25-5-1-3-7-27(25)31(29)32-28-8-4-2-6-26(28)10-12-30(32)40-24-22-38-20-18-36-16-14-34/h1-12,33-34H,13-24H2.

What are the key properties of 2-[2-[2-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethoxy]ethoxy]ethanol?

2-[2-[2-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethoxy]ethoxy]ethanol has a molecular weight of 550.65 g/mol, XLogP of 4.47, 19 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethoxy]ethoxy]ethanol is sourced from PubChem (CID 12994977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).