2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-nonylphenol

C28H50O8 — CID 23293321

IUPAC2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-nonylphenol
SMILESCCCCCCCCCc1ccc(O)c(COCCOCCOCCOCCOCCOCCO)c1
InChIInChI=1S/C28H50O8/c1-2-3-4-5-6-7-8-9-26-10-11-28(30)27(24-26)25-36-23-22-35-21-20-34-19-18-33-17-16-32-15-14-31-13-12-29/h10-11,24,29-30H,2-9,12-23,25H2,1H3
InChIKeyNTQAXULFQOQKIO-UHFFFAOYSA-N
MW514.70 g/mol
LogP4.28
Rot. Bonds27

About 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-nonylphenol

2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-nonylphenol (PubChem CID 23293321) 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-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-nonylphenol.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-nonylphenol
PubChem CID23293321
Molecular FormulaC28H50O8
Molecular Weight514.70 g/mol
Exact Mass514.35
IUPAC Name2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-nonylphenol
SMILESCCCCCCCCCc1ccc(O)c(COCCOCCOCCOCCOCCOCCO)c1
InChIInChI=1S/C28H50O8/c1-2-3-4-5-6-7-8-9-26-10-11-28(30)27(24-26)25-36-23-22-35-21-20-34-19-18-33-17-16-32-15-14-31-13-12-29/h10-11,24,29-30H,2-9,12-23,25H2,1H3
InChIKeyNTQAXULFQOQKIO-UHFFFAOYSA-N
XLogP4.28
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds27
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.70
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethoxy)ethanol;4-octylphenol
CID 158887559
4-nonyl-2-pentylphenol
CID 86162849
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-nonylphenol
CID 157250181
2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-nonylphenol
CID 158816755
2-ethyl-4-heptylphenol
CID 58289223
4-[2-(2-butoxyethoxy)ethoxymethyl]-5-octylbenzene-1,2-diol
CID 135213419
2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol
CID 139672885
4-(3,4-dihexylphenyl)butan-1-ol
CID 169030175
2-[2-[2-[2-[2-[2-[2-[(4-hexadecoxyphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 24748856
ethane;3-[2-(2-hydroxyethoxy)ethoxy]-5-(4-pentylphenyl)phenol
CID 144648391
2-nonyl-4-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenol
CID 139748771
2-(2-hydroxyethoxy)ethanol;bis(5-[4-hydroxy-3-(2-methylpropyl)phenyl]pentanoic acid)
CID 67877072

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-nonylphenol?
The IUPAC name of 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-nonylphenol (CID 23293321) is 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-nonylphenol.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-nonylphenol?
The canonical SMILES for 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-nonylphenol is CCCCCCCCCc1ccc(O)c(COCCOCCOCCOCCOCCOCCO)c1.
What is the InChIKey of 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-nonylphenol?
The InChIKey is NTQAXULFQOQKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50O8/c1-2-3-4-5-6-7-8-9-26-10-11-28(30)27(24-26)25-36-23-22-35-21-20-34-19-18-33-17-16-32-15-14-31-13-12-29/h10-11,24,29-30H,2-9,12-23,25H2,1H3.
What are the key properties of 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-nonylphenol?
2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-nonylphenol has a molecular weight of 514.70 g/mol, XLogP of 4.28, 27 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-nonylphenol is sourced from PubChem (CID 23293321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).