2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol

C25H44O6 — CID 542446

IUPAC2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCCCCCCCCCc1ccc(OCCOCCOCCOCCOCCO)cc1
InChIInChI=1S/C25H44O6/c1-2-3-4-5-6-7-8-9-24-10-12-25(13-11-24)31-23-22-30-21-20-29-19-18-28-17-16-27-15-14-26/h10-13,26H,2-9,14-23H2,1H3
InChIKeyPITRRWWILGYENJ-UHFFFAOYSA-N
MW440.62 g/mol
LogP4.42
Rot. Bonds23

About 2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 542446) has the molecular formula C25H44O6 and a molecular weight of 440.62 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID542446
Molecular FormulaC25H44O6
Molecular Weight440.62 g/mol
Exact Mass440.31
IUPAC Name2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCCCCCCCCCc1ccc(OCCOCCOCCOCCOCCO)cc1
InChIInChI=1S/C25H44O6/c1-2-3-4-5-6-7-8-9-24-10-12-25(13-11-24)31-23-22-30-21-20-29-19-18-28-17-16-27-15-14-26/h10-13,26H,2-9,14-23H2,1H3
InChIKeyPITRRWWILGYENJ-UHFFFAOYSA-N
XLogP4.42
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.62
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 542446) is 2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol is CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCO)cc1.
What is the InChIKey of 2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is PITRRWWILGYENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O6/c1-2-3-4-5-6-7-8-9-24-10-12-25(13-11-24)31-23-22-30-21-20-29-19-18-28-17-16-27-15-14-26/h10-13,26H,2-9,14-23H2,1H3.
What are the key properties of 2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 440.62 g/mol, XLogP of 4.42, 23 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-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 542446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).